texlive[65499] Master/texmf-dist/doc/metapost/mcf2graph: mcf2graph
commits+karl at tug.org
commits+karl at tug.org
Mon Jan 9 21:52:41 CET 2023
Revision: 65499
http://tug.org/svn/texlive?view=revision&revision=65499
Author: karl
Date: 2023-01-09 21:52:40 +0100 (Mon, 09 Jan 2023)
Log Message:
-----------
mcf2graph (9jan23)
Modified Paths:
--------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
Removed Paths:
-------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,6 +1,14 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2022-11-12
+ Changelog of mcf2graph software package by Akira Yamaji 2023-01-09
*******************************************************************************
+[ver. 4.91 / 2023-01-09]
+ -update MCF manual
+ from this version typeset with LuaTeX
+ include mcf_man_soc.mp,mcf_mplib_exa.tex
+ -delete mcf_man_soc.mp
+ -delete mcf_mplib_exa.tex
+ -delete mcf_mplib_exa.pdf
+
[ver. 4.90 / 2022-11-12]
-change syntax of fused ring
{a--b}=?n => a--b=?n (n:4,5,6)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with MetaPost
Author : Akira Yamaji
- version : 4.90 2022-11-12
+ version : 4.91 2023-01-09
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -20,17 +20,12 @@
( 3) mcf2graph.mp Main macro of Metapost
( 4) mcf_library.mcf Molecular data library
( 5) mcf_exa_soc.mp Molecular difinition file example
- ( 6) mcf_manual.tex MCF syntax manual(LaTeX file)
- make files 'mcf_man_soc-***.mps' before typeset
- >mpost mcf_man_soc.mf
- ( 7) mcf_man_soc.mp Molecular definition file for mcf_manual.tex
- ( 8) mcf_manual.pdf PDF of (6) (typeset with pdftex(LaTeX),makeindex)
- ( 9) mcf_example.tex MCF example
- (10) mcf_example.pdf PDF of (9) typeset with LuaLaTeX
- (11) mcf_exa_code.tex MCF example include code
- (12) mcf_exa_code.pdf PDF of (11) typeset with LuaLaTeX
- (13) mcf_mplib_exa.tex luamplib(LuaLaTeX) example
- (14) mcf_mplib_exa.pdf PDF of (13) typeset with LuaLaTeX
+ ( 6) mcf_manual.tex MCF syntax manual
+ ( 7) mcf_manual.pdf PDF of ( 6) typeset with LuaLaTeX,makeindex
+ ( 8) mcf_example.tex MCF example
+ ( 9) mcf_example.pdf PDF of ( 8) typeset with LuaLaTeX
+ (10) mcf_exa_code.tex MCF example include code
+ (11) mcf_exa_code.pdf PDF of (10) typeset with LuaLaTeX
3. How to use mcf2graph with MetaPost
Minimum requirement to use mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp
@@ -48,7 +43,7 @@
(11) >mpost -s ahlength=7 filename => output report file
4. License
- mcf2graph ver 4.88 Copyright (c) 2013-2022 Akira Yamaji
+ mcf2graph ver 4.91 Copyright (c) 2013-2023 Akira Yamaji
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.90 Copyright (c) 2013-2022 Akira Yamaji
+% mcf2graph ver 4.91 Copyright (c) 2013-2023 Akira Yamaji
%
% Permission is hereby granted, free of charge, to any person obtaining a copy of this software
% and associated documentation files (the "Software"), to deal in the Software without restriction,
@@ -33,7 +33,7 @@
% Set output MOL file (V3000) : mpost -s ahlength=6 FILENAME
% Set output report : mpost -s ahlength=7 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 4.90 2022.11.12";
+message "* This is mcf2graph ver 4.91 2023.01.09";
tracingstats:=1; prologues:=3; warningcheck:=0;
%-------------------------------------------------------------------------------------------------
newinternal string EN_;
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Print out mcf data list by A.Yamaji 2022.11.12
+% Print out mcf data list by A.Yamaji 2023.01.09
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.90
+% ** mcf2graph.mf must be version 4.91
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
\documentclass{article}
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format by Akira Yamaji 2022.11.12
+% Molecular Coding Format by Akira Yamaji 2023.01.09
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph; %%% it must be version 4.90
-message "* mcf_exa_soc 2022.11.12";
+if unknown Ph1: input mcf2graph; fi %%% it must be version 4.91
+message "* mcf_exa_soc 2023.01.09";
message "";
%------------------------------------------------------------------------------
%%%%sw_frame:=Outside;
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2022.11.12
+% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2023.01.09
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.90
+% ** mcf2graph.mf must be version 4.91
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
\documentclass{article}
Deleted: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,1270 +0,0 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF file for mcf_manual.tex by Akira.Yamaji 2022.11.12
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph; %% it must be version 4.90
-% ** use library file 'mcf_library.mcf'
-message "mcf_man_soc 2022.11.12"; message "";
-%------------------------------------------------------------------------
-sw_mframe:=0;
-sw_expand:=0;
-%%ext(defaultscale:=.5; label.bot(decimal(fig_num)&":"&inf_EN,(.5w,0));)
-%***********************************************************************
-fsize:=(40mm,25mm);
-blength:=6mm;
-%***********************************************************************
-beginfigm("EN:Glycine",":<30,NH2,!2,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Alanine",":<30,NH2,!~wb,/_,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Valine",":<30,NH2,!~wb,/?!,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Leucine",":<30,NH2,!~wb,/'(!,?!),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Isoleucine",":<30,NH2,!~wb,/'(/*_,!2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Serine",":<30,NH2,!~wb,/!OH,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Threonine",":<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Cysteine",":<30,NH2,!~wb,/!SH,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Methionine",":<30,NH2,!~wb,/'(!2,S,!),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Phenylalanine",":<30,NH2,!~wb,/!Ph,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Tyrosine",":<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Triptophan",
- ":<30,NH2,!~wb,!,COOH, at 2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Prorine",":<18,?5,3:NH,4:*/COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Glutamine",
- ":<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!,//O,!,NH2")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Asparagine",":<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Aspartic acid",":<30,NH2,!~wb,/!COOH,!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Glutamic acid",":<30,NH2,!~wb,/'(!2,COOH),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Lysine",":<30,NH2,!~wb,/'(!4,NH2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Arginine",
- ":<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!2,NH,!,//NH,!,NH2")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Hystidine",
- ":<30,NH2,!~wb,!,COOH, at 2,\,!,|,?5,{1,3}=dl,3:N,5:NH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-DOPA",":<30,NH2,!~wb,!,COOH, at 2,\,!,Ph,{-3,-4}:/OH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:Ornithine",":<30,NH2,!~wb,/'(!3,NH2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:Citrulline",":<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:GABA",":<30,NH2,!4,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:amino Levulinic acid",":<30,NH2,!2,//O,!3,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:4-amino benzoic acid",":<30,Ph,1:/NH2,4:/COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Carboxyl glutamic acid",
- ":<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:L-Hydroxy Prorine",":<18,?5,1:/OH,3:NH,4:*/COOH")
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-fsize:=(60mm,35mm);
-blength:=0mm;
-max_blength:=10mm;
-ratio_thickness_bond:=0.015;
-ratio_atom_bond:=0.36;
-sw_frame:=Outside;
-fmargin:=(2mm,1mm);
-%***********************************************************************
-beginfigm("EN:Chain 1")
- fsize:=(60mm,17mm);
- sw_numbering:=Bond;
- numbering_end:=6;
- ratio_chain_ring:=1;
-%----------------------------------------------------------------------
- MC(<15,-30,45,-45,60,$300,$0,
- {1^$15,2^$345,3^$30,4^$345}:/_~dt,{5,6}=vf,
- )
- add(
- defaultscale:=0.5;
- labeloffset:=2bp;
- drawarrow B7/*.7{B7right}..{B1right}B1/*.7; label.ulft("-30",B7/*.7);
- drawarrow B8/*.7{B8left}..{B2left}B2/*.7; label.llft("45",B8/*.7);
- drawarrow B9/*.7{B9right}..{B3right}B3/*.7; label.ulft("-45",B9/*.7);
- drawarrow B10/*.7{B10left}..{B4left}B4/*.7; label.llft("60",B10/*.7);
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:Chain 2")
- fsize:=(60mm,17mm);
- sw_numbering:=Bond;
- numbering_end:=6;
- ratio_chain_ring:=1;
-%----------------------------------------------------------------------
- MC(<-30,!6,
- {1^-120,2^60,3^-60,4^60,5^-60,6^60}:/_~dt
- )
- add(
- defaultscale:=0.5;
- labeloffset:=2bp;
- drawarrow B7/*.7{B7right}..{B1right}B1/*.7; label.ulft("-60",B7/*.7);
- drawarrow B8/*.7{B8left}..{B2left}B2/*.7; label.llft("60",B8/*.7);
- drawarrow B9/*.7{B7right}..{B3right}B3/*.7; label.ulft("-60",B9/*.7);
- drawarrow B10/*.7{B10left}..{B4left}B4/*.7; label.llft("60",B10/*.7);
- drawarrow B11/*.7{B11right}..{B5right}B5/*.7; label.ulft("-60",B11/*.7);
- drawarrow B12/*.7{B12left}..{B6left}B6/*.7; label.llft("60",B12/*.7);
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:Jump and Branch")
- fsize:=(60mm,16mm);
- fmargin:=(2mm,2mm);
- sw_trimming:=1;
- sw_numbering:=Atom;
- ratio_chain_ring:=1;
-%----------------------------------------------------------------------
- MC(<-30,!6, at 3,0,!, at 5,-30)
-endfigm
-%***********************************************************************
-beginfigm("EN:Jump and Branch")
- fsize:=(60mm,16mm);
- fmargin:=(2mm,2mm);
- sw_numbering:=Atom;
- sw_trimming:=1;
- ratio_chain_ring:=1;
-%----------------------------------------------------------------------
- MC(<-30,!6, at 3,\,!)
-endfigm
-%***********************************************************************
-beginfigm("EN:branch1")
- fsize:=(60mm,16mm);
- fmargin:=(2mm,2mm);
- sw_numbering:=Atom;
- sw_trimming:=1;
- numbering_end:=10;
- ratio_chain_ring:=1;
-%----------------------------------------------------------------------
- MC(<30,!10, at 2,\,!, at 4,*\,!, at 6,\*,!, at 8,\\,!, at 10,*\*,!)
-endfigm
-%***********************************************************************
-beginfigm("EN:branch2")
- fsize:=(60mm,20mm);
- fmargin:=(2mm,2mm);
- sw_trimming:=1;
- sw_numbering:=Atom;
- numbering_end:=7;
- ratio_chain_ring:=1;
-%----------------------------------------------------------------------
- MC(<30,!6, at 2,\~dr,!, at 4,\`1.5,-90, at 6,15,-60)
-endfigm
-%***********************************************************************
-beginfigm("EN:Connect atom")
- fsize:=(60mm,20mm);
- fmargin:=(2mm,2mm);
- sw_trimming:=1;
- sw_numbering:=Atom;
- ratio_chain_ring:=1;
-%----------------------------------------------------------------------
- MC(<-30,!6, at 3,\,!3,&6~bd, at 9,&4~bz)
-endfigm
-%***********************************************************************
-beginfigm("EN:ring")
- fsize:=(60mm,20mm);
- sw_trimming:=1;
- fmargin:=(2mm,3mm);
- sw_numbering:=Bond;
-%----------------------------------------------------------------------
- MC(?6)
-endfigm
-%***********************************************************************
-beginfigm("EN:rotate 1")
- fsize:=(60mm,20mm);
- fmargin:=(2mm,3mm);
- sw_trimming:=1;
- sw_numbering:=Bond;
- ratio_chain_ring:=1;
- numbering_end:=7;
- defaultscale:=0.5;
- labeloffset:=2bp;
- MC(#1,0,0,<90,0,<-90,0,<$315,0,<$90,0,<$0,0,{1:7}=vf,
- {3,4^180}:/_~dt)
- add(
- drawarrow B8/*.7{B8left}..{B3left}B3/*.7; label.urt("90",B8/*.7);
- drawarrow B9/*.7{B9right}..{B4right}B4/*.7; label.urt("-90",B9/*.7);
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:change bond 1")
- fsize:=(70mm,10mm);
- fmargin:=(2mm,2mm);
- sw_trimming:=0;
- ratio_chain_ring:=1;
- MC(<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm)
- add(defaultscale:=0.6; labeloffset:=0;
- label.rt("(dm)",A1+(0,-0.7l));
- label.rt("(dl)",A3+(0,-0.7l));
- label.rt("(dr)",A5+(0,-0.7l));
- label.rt("(db)",A6+(0,-0.2l));
- label.rt("(db)",A7+(0,-0.7l));
- label.rt("(tm)",A9+(0,-0.7l));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:change bond 2")
- fsize:=(70mm,10mm);
- fmargin:=(2mm,2mm);
- sw_trimming:=0;
- ratio_chain_ring:=1;
- MC(<-30,!~wf,!,!~wb,!,!~zf,!,!~zb,!,!~vf,!,!~vb)
- add(defaultscale:=0.6; labeloffset:=0;
- label.rt("(wf)",A1+(0,-0.7l));
- label.rt("(wb)",A3+(0,-0.7l));
- label.rt("(zf)",A5+(0,-0.7l));
- label.rt("(zb)",A7+(0,-0.7l));
- label.rt("(vf)",A9+(0,-0.7l));
- label.rt("(vb)",A11+(0,-0.7l));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:change bond 3")
- fsize:=(70mm,10mm);
- fmargin:=(2mm,2mm);
- blength:=9mm;
- sw_trimming:=1;
- ratio_chain_ring:=1;
- MC(<-30,!7,1=dt,3=wv,5=bd,7=bz)
- add(defaultscale:=0.6; labeloffset:=0;
- label.rt("(dt)",A1+(0,-0.6l));
- label.rt("(wv)",A3+(0,-0.6l));
- label.rt("(bd)",A5+(0,-0.6l));
- label.rt("(bz)",A7+(0,-0.6l));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:over line")
- sw_trimming:=1;
- fsize:=(75mm,20mm);
- ratio_chain_ring:=1;
- MC(<30,!18,$90`1.5,90`15.5,
- {2~si_,4~wf_,6~wb_,8~zf_,10~zb_,
- 12~bd_,14~dl_,16~dr_,18~dm_}:/_`2)
-endfigm
-%***********************************************************************
-beginfigm("EN:Steric ring")
- fsize:=(75mm,16mm);
- MCat(0.05,0.5)(#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##,
- #.5,{1^$-90,2^$90,3^$-90,4^$90}:/OH,6^$90:/!OH)
- defaultscale:=0.6;
- MCat(0.5,0.7)(0~wf_r) add(label.lft("wf_r:",A1);)
- MCat(0.5,0.2)(0~wf) add(label.lft("wf:",A1);)
- MCat(0.75,0.7)(0~bd_r) add(label.lft("bd_r:",A1);)
- MCat(0.75,0.2)(0~bd) add(label.lft("bd:",A1);)
- MCat(1,0.7)(0~wb_r) add(label.lft("wb_r:",A1);)
- MCat(1,0.2)(0~wb) add(label.lft("wb:",A1);)
-endfigm
-%***********************************************************************
-beginfigm("EN:change multi bond")
- fsize:=(60mm,8mm);
- fmargin:=(2mm,3mm);
- ratio_chain_ring:=1;
- MC(<30,!9,{2,4,6,8'}=dl)
-endfigm
-%***********************************************************************
-beginfigm("EN:change bond length1")
- fsize:=(55mm,8mm);
- sw_numbering:=Bond;
- MC(<-30,!2,!4`1.2,!2)
-endfigm
-%***********************************************************************
-beginfigm("EN:change bond length2")
- fsize:=(55mm,8mm);
- sw_numbering:=Bond;
- MC(<-30,!2,#1.2,!4,##,!2)
-endfigm
-%***********************************************************************
-beginfigm("EN:change ring length")
- fsize:=(60mm,16mm);
- fmargin:=(2mm,2mm);
- sw_trimming:=1;
- sw_numbering:=Bond;
- MC(?6, at 4,\,?6`1.2)
-endfigm
-%***********************************************************************
-beginfigm("EN:Insert atom")
- sw_trimming:=1;
- fsize:=(50mm,7mm);
- MC(<-30,!2,O,!2,N,!2)
-endfigm
-%***********************************************************************
-beginfigm("EN:change atom",":<30,!5,2:O,{3:5}:N")
- fsize:=(70mm,10mm);
- msize:=(0.48,1);
- MCat(0,0.5)(scantokens(mc))
- sw_numbering:=Atom;
- MCat(1,0.5)(scantokens(mc))
-endfigm
-%***********************************************************************
-beginfigm("EN:change atom brock address 1",":?6, at 4,\,|,?6,2:O")
- fsize:=(70mm,14mm);
- fmargin:=(3mm,1.5mm);
- MCat(0,.5)(scantokens(mc))
- sw_numbering:=Atom;
- msize:=(1,.88);
- MCat(1,.5)(scantokens(mc))
-endfigm
-%***********************************************************************
-beginfigm("EN:change atom brock address 2",":?6, at 4,\,|,?6,||,2:N")
- fsize:=(70mm,14mm);
- fmargin:=(3mm,1.5mm);
- MCat(0,.5)(scantokens(mc))
- sw_numbering:=Atom;
- msize:=(1,.88);
- MCat(1,.5)(scantokens(mc))
-endfigm
-%***********************************************************************
-beginfigm("EN:change atom absolute address",":?6, at 4,\,?6,$2:N")
- fsize:=(70mm,14mm);
- fmargin:=(3mm,1.5mm);
- MCat(0,.5)(scantokens(mc))
- sw_numbering:=Atom;
- msize:=(1,.88);
- MCat(1,.5)(scantokens(mc))
-endfigm
-%***********************************************************************
-beginfigm("EN:change atom relative adress",":?6, at 4,\,?6,-2:N")
- fsize:=(70mm,14mm);
- fmargin:=(3mm,1.5mm);
- MCat(0,.5)(scantokens(mc))
- sw_numbering:=Atom;
- msize:=(1,.88);
- MCat(1,.5)(scantokens(mc))
-endfigm
-%***********************************************************************
-beginfigm("EN:Charged atom")
- sw_trimming:=1;
- fsize:=(60mm,12mm);
- MC(<-30,!2,N,??,p_,!2,S,n_^180,!6,7:N,7:??,9:S,7:p_,9:n_^180)
-endfigm
-%***********************************************************************
-beginfigm("EN:fused ring")
- fsize:=(60mm,18mm);
- fmargin:=(2mm,1.5mm);
- sw_trimming:=1;
- sw_numbering:=Bond;
- MC(<30,?6,3=?6,3=dt,{7:11}=bd_r)
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:change ring length")
- fsize:=(60mm,25mm);
- fmargin:=(2mm,2mm);
- sw_trimming:=1;
- sw_numbering:=Bond;
- MC(?6, at 4,\,?6`1.2,5=?6,11=?6,
- {14:23}=bd_r,{5,11}=dt)
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:fused large 6 ring")
- fsize:=(60mm,18mm);
- fmargin:=(2mm,1.5mm);
- margin_top_bottom:=1.5mm;
- sw_numbering:=Bond;
- sw_trimming:=1;
- MC(<30,?6,3=?6[13],3=dt,{7:11}=bd_r)
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:fuse multi ring")
- fsize:=(70mm,20mm);
- fmargin:=(2mm,2mm);
- sw_numbering:=Bond;
- sw_trimming:=1;
- MC(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt)
-endfigm
-%***********************************************************************
-beginfigm("EN:fused ring 2")
- fsize:=(75mm,20mm);
- fmargin:=(2mm,2mm);
- sw_numbering:=Bond;
- msize:=(1,.9);
- MCat( 0,.5)(<30,?6,{3,11--4}=?6,{11,4}=dt,{12:15}=bd_r)
- add(defaultscale:=0.4; label("(1)",p0);)
- msize:=(1,.9);
- MCat(.5,.5)(<30,?6,3=?6,{11--4}=?5,{11,4}=dt,{12:14}=bd_r)
- add(defaultscale:=0.4; label("(2)",p0);)
- msize:=(1,.9);
- MCat( 1,.5)(<30,?6,3=?6,{11--4}=?4,{11,4}=dt,{12,13}=bd_r)
- add(defaultscale:=0.4; label("(3)",p0);)
-endfigm
-%***********************************************************************
-beginfigm("EN:fused ring 3")
- fsize:=(60mm,20mm);
- fmargin:=(2mm,2mm);
- sw_numbering:=Bond;
- MCat(0,1)(?6,{3,10}=?6,16---4=?6,{16,4}=dt,{17:19}=bd_r)
- add(defaultscale:=0.4; label("(1)",p0);)
- MCat(1,0)(?6,{3,10}=?6,16---4=?5,{16,4}=dt,{17,18}=bd_r)
- add(defaultscale:=0.4; label("(2)",p0);)
-endfigm
-%***********************************************************************
-beginfigm("EN:fused ring 4")
- fsize:=(60mm,20mm);
- fmargin:=(2mm,2mm);
- sw_numbering:=Bond;
- MC(<-30,?6,{3,10,15}=?6,21----4=?6,{21,4}=dt,{22,23}=bd_r)
-endfigm
-%***********************************************************************
-beginfigm("EN:Spiro ring ")
- fsize:=(40mm,15mm);
- sw_numbering:=Atom;
- numbering_end:=7;
- ratio_chain_ring:=1;
- MC(<30,!6, at 4,?5)
-endfigm
-%***********************************************************************
-beginfigm("EN:group 1")
- fsize:=(75mm,18mm);
- MC(<30,!,/_,!2,/!,!2,/!,!4,/?!,!4,/??!,!2,/'(Ph`0.8)^-60,!)
-endfigm
-%***********************************************************************
-beginfigm("EN:group 2")
- fsize:=(70mm,14mm);
- MC(<30,!`1,//O,!2`1,*/H,!2`1,/*H,!2`1,*/*H,!2`1,**?3,!`1)
- add(defaultscale:=0.75;
- label("//",A2-(0,0.45l));
- label("*/",A4-(0,0.45l));
- label("/*",A6-(0,0.45l));
- label("*/*",A8-(0,0.45l));
- label("**",A10-(0,0.45l));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:group 3")
- fsize:=(60mm,16mm);
- sw_trimming:=1;
- MC(<-30,#1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!)
-endfigm
-%***********************************************************************
-beginfigm("EN:group 3")
- fsize:=(75mm,25mm);
- fmargin:=(2mm,2mm);
- sw_numbering:=Atom;
- numbering_end:=17;
- MC(<30,!17,2:/_,3:/!,4:/!2,7:/iPr,8:/tBu,10:/'(Ph`0.6)^-15,
- {11,12,13'}:*/_,{15,16,17'}:/*_)
-endfigm
-%***********************************************************************
-beginfigm("EN:group 4")
- fsize:=(60mm,18mm);
- sw_trimming:=1;
- fmargin:=(2mm,2mm);
- sw_numbering:=Atom; numbering_end:=9;
- MC(<30,!8`1,{2~wf,4~zf,6^-30,8^$120}:/_)
-endfigm
-%***********************************************************************
-beginfigm("EN:group 5")
- fsize:=(60mm,16mm);
- sw_trimming:=1;
- sw_numbering:=Atom; numbering_end:=8;
- MC(<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl)
-endfigm
-%***********************************************************************
-beginfigm("EN:chain strech direction mode 1")
- fsize:=(50mm,25mm);
- sw_trimming:=1;
- ratio_chain_ring:=1;
- MC(?4,{3^-90,3^-30,3^90}:/!3>hz,
- {1^-60,1,1^60}:/!3>vt
- )
- add(defaultscale:=0.5; labeloffset:=2bp;
- label.rt(">hz",A8);
- label.top(">hz",A12);
- label.top(">hz",A16);
- label.rt(">vt",A20);
- label.top(">vt",A24);
- label.rt(">vt",A28);
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:chain strech direction mode 2")
- fsize:=(60mm,20mm);
- sw_trimming:=1;
- ratio_chain_ring:=1;
- MC(<-30,!6,{3^-30,3,3^30}:/!3>lr,
- {5^-30,5,5^30}:/!3>rl
- )
- add(defaultscale:=0.6; labeloffset:=2bp;
- label.lft(">lr",A11);
- label.lft(">lr",A15);
- label.top(">lr",A19);
- label.top(">rl",A23);
- label.rt(">rl",A27);
- label.rt(">rl",A31);
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:chain strech direction mode 3")
- fsize:=(40mm,20mm);
- sw_trimming:=1;
- MC(<30,!4,2:/!6>30,4:/!4>-45)
-endfigm
-%***********************************************************************
-beginfigm("EN:chain strech direction mode 4")
- fsize:=(60mm,20mm);
- sw_trimming:=1;
- MC(<30,!6,6>'(90,-90,90,-90,90):/!5)
-endfigm
-%***********************************************************************
-beginfigm("EN:change atom and group")
- fsize:=(60mm,12mm);
- sw_trimming:=1;
- MC(<-30,!2,NH,!2,N!,!2,N!2,!2,SO,!2,SOO,!)
-endfigm
-%***********************************************************************
-beginfigm("EN:methyl*2,isopropyl,tert-butyl")
- fsize:=(60mm,12mm);
- sw_trimming:=1;
- MC(<30,!9`1,?!,!,??,!,2:??,4:/?!,6:/??!,8:/N?!)
-endfigm
-%***********************************************************************
-beginfigm("EN:User definition")
- fsize:=(60mm,13mm);
- sw_trimming:=1;
- iBuOH:='(!,/_,!,OH);
- MC(<30,?6,{4,6}:/iBuOH)
-endfigm
-%***********************************************************************
-beginfigm("EN:Inline definition")
- fsize:=(60mm,13mm);
- fmargin:=(2mm,1mm);
- sw_trimming:=1;
- MC(<30,!8,{2,6}:/'(!,/_,!,OH))
-endfigm
-%***********************************************************************
-beginfigm("EN:Move position")
- fsize:=(70mm,16mm);
- fmargin:=(2mm,1mm);
- sw_trimming:=1;
- MC(<30,?6, at 3,\,!3,//O,!,O,n_^60,@$(6,1),H,p_^15)
- add(drawdot A1 withpen pencircle scaled 2bp;
- pickup pencircle scaled 0.1bp;
- for i=0 upto 6:
- draw (A1+(l*i,l-3bp))--(l*i,l+3bp);
- endfor
- draw A1--(A1+(0,1l))--A1+(6l,1l);
- draw (A1+(0,1l))--(A1+(-3bp,1l));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:Serial number")
- fsize:=(75mm,14mm);
- max_blength:=8mm;
- sw_numbering:=Atom; numbering_end:=15;
- MC(<30,!14,{2,6:10,14}:/_~bd_r`0.5)
-endfigm
-%***********************************************************************
-beginfigm("EN:Change color")
- fsize:=(50mm,20mm);
- max_blength:=8mm;
- MC(
- <30,Ph,{2,5}:N,3:/NH2,4:/COOH,
- 2:red,5:blue,3=green
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:Change font")
- fsize:=(50mm,20mm);
- max_blength:=8mm;
- atomfont:="cmr8";
- MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
-endfigm
-%***********************************************************************
-beginfigm("EN:mangle")
- fsize:=(50mm,15mm);
- blength:=6mm;
- mangle:=0;
- MCat(0.2,0.5)(Ph)
- add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);)
- mangle:=30;
- MCat(0.8,0.5)(Ph)
- add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);)
-endfigm
-%***********************************************************************
-beginfigm("EN:blength=0")
- sw_frame:=Bothside;
- fsize:=(40mm,15mm);
- MC(<30,Ph)
- ext(pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- )
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:0<blength=<1")
- sw_frame:=Bothside;
- fsize:=(40mm,15mm);
- blength:=0.1;
- MC(<30,Ph)
- ext(pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- )
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:blength>1")
- sw_frame:=Bothside;
- fsize:=(40mm,15mm);
- blength:=8mm;
- MC(<30,Ph)
- ext(pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:msize=(1)")
- sw_frame:=Bothside+Mol;
- fsize:=(40mm,15mm);
- msize:=(1,1);
- MC(<30,Ph)
- ext(pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- )
-endfigm
-%------------------------------------------------------
-beginfigm("EN:msize=(0.25,1)")
- sw_frame:=Bothside+Mol;
- fsize:=(40mm,15mm);
- msize:=(0.25,1);
- MC(<30,Ph)
- ext(pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- )
-endfigm
-%------------------------------------------------------
-beginfigm("EN:msize=(11mm,11mm)")
- sw_frame:=Bothside+Mol;
- fsize:=(40mm,15mm);
- msize:=(11mm,11mm);
- MC(<30,Ph)
- ext(pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:mposition")
- sw_frame:=Bothside+Mol;
- fsize:=(40mm,15mm);
- msize:=(1,0.8);
- mposition:=(0.5,0.5);
- MC(<30,Ph)
-endfigm
-%-----------------------------------------------------
-beginfigm("EN:mposition")
- sw_frame:=Bothside+Mol;
- fsize:=(40mm,15mm);
- msize:=(1,0.8);
- mposition:=(1,0);
- MC(<30,Ph)
-endfigm
-%-----------------------------------------------------
-beginfigm("EN:mposition")
- sw_frame:=sw_frame+Mol;
- fsize:=(40mm,15mm);
- msize:=(1,0.8);
- mposition:=(10mm,4mm);
- MC(<30,Ph)
- ext(drawdot p1 withpen pencircle scaled 3pt;
- pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:Figure size")
- fsize:=(40mm,12mm);
- sw_frame:=Outside;
- MC(<30,Ph)
- ext(pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:fmargin")
- fsize:=(40mm,12mm);
- sw_frame:=Bothside+Mol;
- fmargin:=(10mm,1mm);
- MC(<30,Ph)
- ext(pickup pencircle scaled 0.2pt;
- for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
- for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
- for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
- for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
- drawdot p0 withpen pencircle scaled 3pt;
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:offset_thickness",":<30,Ph")
- fsize:=(60mm,12mm);
- offset_thickness:=0.0pt; MCat(0.1,0.5)(scantokens(mc))
- offset_thickness:=0.2pt; MCat(0.55,0.5)(scantokens(mc))
- offset_thickness:=0.5pt; MCat(1,0.5)(scantokens(mc))
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.0pt",(0,1bp));
- label.urt("0.2pt",(0.36w,1bp));
- label.urt("0.5pt",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:offset_bond_gap",":<30,Ph")
- fsize:=(60mm,12mm);
- offset_bond_gap:=0.0pt; MCat(0.1, 0.5)(scantokens(mc))
- offset_bond_gap:=0.3pt; MCat(0.55,0.5)(scantokens(mc)) %<<== default
- offset_bond_gap:=1.0pt; MCat(1, 0.5)(scantokens(mc))
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.0pt",(0,1bp));
- label.urt("0.3pt",(0.36w,1bp));
- label.urt("1.0pt",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:offset_atom")
- fsize:=(60mm,12mm);
- offset_atom:=0.0pt; MCat(0.1, .5)(<30,?6,3:O)
- offset_atom:=0.8pt; MCat(.55, .5)(<30,?6,3:O) %<<== default
- offset_atom:=2.0pt; MCat(1, .5)(<30,?6,3:O)
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.0pt",(0,1bp));
- label.urt("0.8pt",(0.36w,1bp));
- label.urt("2.0pt",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:offset_wedge")
- fsize:=(60mm,12mm);
- offset_wedge:=0.0pt; MCat(0.1,0.5)(<30,?6,5:*/_)
- offset_wedge:=0.4pt; MCat(0.55,0.5)(<30,?6,5:*/_) %<<== default
- offset_wedge:=1.0pt; MCat(1, 0.5)(<30,?6,5:*/_)
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.0pt",(0,1bp));
- label.urt("0.4pt",(0.36w,1bp));
- label.urt("1.0pt",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:max_blength")
- fsize:=(60mm,20mm);
- sw_frame:=sw_frame+Mol;
- max_blength:=5mm; MCat(0, .5)(<30,Ph)
- max_blength:=8mm; MCat(.4,.5)(<30,Ph)
- max_blength:=10mm; MCat(1, .5)(<30,Ph) %<<== default
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label("5mm", (0.1w,0.5h));
- label("8mm", (0.42w,0.5h));
- label("10mm",(0.82w,0.5h));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:ratio_thickness_bond")
- fsize:=(60mm,12mm);
- ratio_thickness_bond:=0.005; MCat(0.1,0.5)(<30,Ph)
- ratio_thickness_bond:=0.015; MCat(.55,0.5)(<30,Ph) %<<== default
- ratio_thickness_bond:=0.03; MCat(1, 0.5)(<30,Ph)
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.005",(0,1bp));
- label.urt("0.015",(0.36w,1bp));
- label.urt("0.030",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:ratio_char_bond")
- fsize:=(60mm,12mm);
- ratio_char_bond:=1.0; MCat(0, .5)(<30,?6,6:O,3:NH)
- ratio_char_bond:=1.5; MCat(.5, .5)(<30,?6,6:O,3:NH) %<<== default
- ratio_char_bond:=2.0; MCat( 1, .5)(<30,?6,6:O,3:NH)
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("1.0",(0,1bp));
- label.urt("1.5",(0.36w,1bp));
- label.urt("2.0",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:ratio_bondgap_bond")
- fsize:=(60mm,12mm);
- ratio_bondgap_bond:=0.10; MCat(0.1, .5)(<30,Ph)
- ratio_bondgap_bond:=0.15; MCat(.55, .5)(<30,Ph) %<<== default
- ratio_bondgap_bond:=0.20; MCat(1 , .5)(<30,Ph)
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.10",(0,1bp));
- label.urt("0.15",(0.36w,1bp));
- label.urt("0.20",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:ratio_atom_bond")
- fsize:=(60mm,12mm);
- ratio_atom_bond:=0.25; MCat(0.1, .5)(<30,?6,3:O)
- ratio_atom_bond:=0.33; MCat(.55, .5)(<30,?6,3:O) %<<== default
- ratio_atom_bond:=0.45; MCat(1, .5)(<30,?6,3:O)
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.25",(0,1bp));
- label.urt("0.33",(0.36w,1bp));
- label.urt("0.45",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:ratio_wedge_bond")
- fsize:=(70mm,12mm);
- ratio_wedge_bond:=0.1; MCat(0.05,.5)(?6,4:*/_)
- ratio_wedge_bond:=0.12; MCat(.55, .5)(?6,4:*/_) %<<== default
- ratio_wedge_bond:=0.2; MCat(1 , .5)(?6,4:*/_)
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.10",(0,1bp));
- label.urt("0.12",(0.36w,1bp));
- label.urt("0.20",(0.7w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:ratio_atomgap_atom",":<30,!2`0.5,2:O")
- fsize:=(70mm,12mm);
- sw_frame:=sw_frame+Atom;
- ratio_atomgap_atom:=0.00; MCat(0, .5)(scantokens(mc))
- ratio_atomgap_atom:=0.050; MCat(.5,.5)(scantokens(mc)) %<<== default
- ratio_atomgap_atom:=0.12; MCat(1, .5)(scantokens(mc))
- ext(defaultscale:=0.75; labeloffset:=1bp;
- label.urt("0.00",(0.05w,1bp));
- label.urt("0.05",(0.45w,1bp));
- label.urt("0.12",(0.85w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:ratio_chain_ring")
- fsize:=(70mm,12mm);
- ratio_chain_ring:= 0.4; MCat(0.05,.5)(<30,?6,4:/!)
- ratio_chain_ring:= 0.66; MCat(.45, .5)(<30,?6,4:/!) %<<== default
- ratio_chain_ring:= 1; MCat(1, .5)(<30,?6,4:/!)
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.40",(0,1bp));
- label.urt("0.66",(0.3w,1bp));
- label.urt("1.0" ,(0.62w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:ratio_hashgap_bond",":<30,!2,2:/*_`1.5")
- fsize:=(70mm,15mm);
- ratio_hashgap_bond:=0.06; MCat(0.08,.5)(scantokens(mc))
- ratio_hashgap_bond:=0.12; MCat( .55,.5)(scantokens(mc)) %<<== default
- ratio_hashgap_bond:=0.20; MCat(1, .5)(scantokens(mc))
- ext(defaultscale:=0.6; labeloffset:=1bp;
- label.urt("0.06",(0,1bp));
- label.urt("0.12",(0.4w,1bp));
- label.urt("0.20",(0.77w,1bp));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch numbering atom")
- fsize:=(60mm,10mm);
- ratio_chain_ring:=1;
- numbering_start:=3; numbering_end:=8;
- sw_numbering:=Atom; MC(<-30,!9)
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch numbering bond")
- fsize:=(60mm,10mm);
- ratio_chain_ring:=1;
- numbering_start:=3; numbering_end:=8;
- sw_numbering:=Bond; MC(<-30,!9)
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch trimming")
- fsize:=(60mm,20mm);
- sw_frame:=Bothside+Mol;
- msize:=(1,.7); MCat(.2,.3)(Ph)
- MCat(.8,.7)(Ph)
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:Switwch trimming")
- fsize:=(60mm,20mm);
- sw_frame:=Bothside+Mol;
- sw_trimming:=1;
- msize:=(1,.7);
- MCat(.2,.3)(Ph)
- MCat(.8,.7)(Ph)
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch Expand",":<30,Ph,4:/COOH,3:/NH2")
- fsize:=(60mm,20mm);
- MCat(0, .5)(scantokens(mc))
- sw_expand:=1;
- MCat(1, .5)(scantokens(mc))
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch abbreviate group",":<30,Ph,4:/Cl,3:/F")
- fsize:=(60mm,12mm);
- MCat(.15, .5)(scantokens(mc))
- sw_abbreviate:=Group;
- MCat(.85, .5)(scantokens(mc))
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch abbreviate bondtype",":<30,Ph,4:/Cl,3:/F")
- fsize:=(60mm,12mm);
- MCat(.15, .5)(scantokens(mc))
- sw_abbreviate:=Bond;
- MCat(.85, .5)(scantokens(mc))
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch font frame 1")
- fsize:=(30mm,10mm);
- fmargin:=(5mm,1.5mm);
- sw_frame:=Outside;
- MC(<30,Ph)
-endfigm
-beginfigm("EN:Switwch font frame 2")
- fsize:=(30mm,10mm);
- fmargin:=(5mm,1.5mm);
- sw_frame:=Inside;
- MC(<30,Ph)
-endfigm
-beginfigm("EN:Switwch font frame 3")
- fsize:=(30mm,10mm);
- fmargin:=(5mm,1.5mm);
- sw_frame:=Bothside;
- MC(<30,Ph)
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch molecular frame")
- sw_frame:=Outside;
- fsize:=(40mm,11mm);
- msize:=(1,1);
- sw_frame:=sw_frame+Mol;
- MC(<30,Ph)
-endfigm
-%***********************************************************************
-beginfigm("EN:Switwch atom frame")
- fsize:=(60mm,10mm);
- sw_frame:=sw_frame+Atom;
- MC(<30,COOH,!,COOH)
-endfigm
-%***********************************************************************
-beginfigm("EN:Local setting 1")
- fsize:=(15mm,12mm);
- MC(Ph)
-endfigm
-beginfigm("EN:Local setting 2")
- fsize:=(15mm,12mm);
- ratio_thickness_bond:=0.05;
- MC(Ph)
-endfigm
-beginfigm("EN:Local setting 3")
- fsize:=(15mm,12mm);
- MC(Ph)
-endfigm
-%***********************************************************************
-save_ratio:=ratio_thickness_bond;
-beginfigm("EN:Global setting 1")
- fsize:=(15mm,12mm);
- MC(Ph)
-endfigm
-ratio_thickness_bond:=0.05;
-beginfigm("EN:Global setting 2")
- fsize:=(15mm,12mm);
- MC(Ph)
-endfigm
-beginfigm("EN:Global setting 3")
- fsize:=(15mm,12mm);
- MC(Ph)
-endfigm
-ratio_thickness_bond:=save_ratio;
-%***********************************************************************
-beginfigm("EN:MC() ")
- fmargin:=(0.5mm,0.5mm);
- fsize:=(40mm,15mm);
- sw_frame:=Outside+Mol;
- MC(<30,Ph,4:/Cl,3:/F)
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:MCat()")
- defaultscale:=0.6;
- fsize:=(60mm,40mm);
- fmargin:=(3mm,3mm);
- blength:=0.07;
- sw_frame:=Outside;
- mangle:=0;
- for i=1 step -0.5 until 0:
- for j=0 step 0.33 until 1:
- MCat(j,i)(Ph,4:N)
- add(
- drawarrow((A1+A1up**aw)..A1);
- label(decimal(mangle),p0+(0.5w,0.5h));
- )
- mangle:=mangle+30;
- endfor
- endfor
-endfigm
-%***********************************************************************
-beginfigm("EN:Pyridine",":<30,Ph,2:N")
- sw_trimming:=0;
- fsize:=(12mm,12mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:Pyridine",":<30,Ph,2):N")
- sw_trimming:=0;
- fsize:=(12mm,12mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:add() 1")
- fsize:=(70mm,40mm);
- sw_frame:=sw_frame+Atom+Mol;
- max_blength:=10mm;
- msize:=(.91,.9);
- MCat(.5,.85)(<30,?6,{2,5}:O)
- add(
- defaultscale:=.8;
- labeloffset:=.3aw;
- dotlabel.lft("p0",p0);
- dotlabel.rt( "p0+(w,h)",p0+(w,h));
- dotlabel.ulft("A1",A1);
- drawarrow A1..A1+__*l<<A1ang;
- dotlabel.lrt( "B3s",B3s);
- dotlabel.rt("B3m",B3m);
- drawarrow B3m..B3m+__*l<<(B3ang+90);
- dotlabel.ulft("A6",A6);
- drawarrow A1{A1down}..A6;
- dotlabel.urt( "B3e",B3e);
- label.rt( "An="&decimal(An)&
- " Bn="&decimal(Bn)&
- " aw="&decimal(aw)&
- " em="&decimal(em),
- p0+(-9em,-1.5em));
- label.rt( "w="&decimal(w)&
- " h="&decimal(h)&
- " l="&decimal(l),
- p0+(-9em,-3em));
- )
-endfigm
-%***********************************************************************
-beginfigm("EN:add() 2")
- fsize:=(70mm,20mm);
- msize:=(1,0.85); MCat(0,0)(<30,Ph,3=dl,4:/NH2)
- add(labeloffset:=.7aw;
- label.top(lonepair 90,A7);
- drawarrow (A7+up**1.2aw){A7left}..{B7right}B7/*0.3;
- drawarrow B3m..A3+B2up**1.5aw..{A3down}A3;
- )
- MCat(1,0)(<30,?6,{1,5}=dl,4://NH2)
- add(labeloffset:=.7aw;
- label.top(plus,A7);
- label.urt(minus,A3);
- label(lonepair A3ang,A3+A3up**.7aw);
- )
- ext(drawdblarrow (0.4w,0.4h)..(0.55w,0.4h);)
-endfigm
-%***********************************************************************
-beginfigm("EN:ext()")
- fsize:=(70mm,30mm);
- blength:=0.065;
- sw_label_emu:=1;
- %
- MCat(0.1,0.5)(<-210,60`1,60`1,60`1,{1,3}=dl,1:/R1,4:/R2^-60)
- add(
- defaultscale:=0.6;
- label.bot("Diene",p0+(0.5w,0));
- )
- MCat(0.4,0.5)(<-30,-60`1,1=dl,1:/R3,2:/R4^60)
- add(
- defaultscale:=0.6;
- label.bot("Dienophile",p0+(0.5w,0));
- )
- MCat(0.9,0.5)(<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1)
- ext(
- drawarrow (0.52w,0.5h)..(0.6w,0.5h);
- defaultscale:=0.7;
- label("+",(0.25w,0.5h));
- ratio_thickness_char:=0.125;
- label.bot("Diels-Alder Reaction",(0.5w,h));
- )
-endfigm
-%***********************************************************************
-% Global ext() setting 1
-save_defaultsize:=defaultsize;
-defaultsize:=5bp;
-beginfigm("EN:?3")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(<30,?3)
-endfigm
-beginfigm("EN:?4")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?4)
- %-------------------------------
- ext(label.top(inf_EN,(0.5w,0));)
- %-------------------------------
-endfigm
-beginfigm("EN:?5")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?5)
-endfigm
-beginfigm("EN:?5")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?6)
-endfigm
-%-----------------------------------------------------------------------
-beginfigm("EN:?3")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(<30,?3)
-endfigm
-%-------------------------------
-ext(label.top(inf_EN,(0.5w,0));)
-%-------------------------------
-beginfigm("EN:?4")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?4)
-endfigm
-beginfigm("EN:?5")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?5)
-endfigm
-%---------
-ext_clear;
-%---------
-beginfigm("EN:?6")
- fsize:=(12mm,15mm);
- MCat(0.5,1)(?6)
-endfigm
-defaultsize:=save_defaultsize;
-%***************************************************************************
-beginfigm("t:EN","v:Luciferin")
- fsize:=(50mm,15mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***************************************************************************
-beginfigm("EN:Colchicine","MW:385.41",
- %---------------------------------------
- ": <30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
- ": {-1,-4,-6}=dl,-2://O,-3:/O!, ",
- ": @9,\,NH,!,//O,! ")
- %---------------------------------------
- fsize:=(50mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***************************************************************************
-beginfigm("EN:Paclitaxel","MW:853.91",
- %------------------------------------------------------
- ": ?6,5=dl, at 3,#1,36,45,45,45,45,##, ",
- ": &($5),-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, ",
- ": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60, ",
- ": 9:*/_^60,10://O, ",
- ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
- ": @7,\*,O,-45,//O,60,Ph, at 11,*\,O,-60,//O,60, ",
- ": @12,\*^-15,O,60,//O,-60 ")
- %------------------------------------------------------
- fsize:=(50mm,25mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***************************************************************************
-beginfigm("EN:Maltose","MW:342.3",
- %------------------------------------------------------
- ": #1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
- ": #.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, ",
- ": @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, ",
- ": |,#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##,",
- ": #.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ")
- %------------------------------------------------------
- fsize:=(50mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%***********************************************************************
-beginfigm("EN:Cellobiose","MW:342.3",
- %------------------------------------------------------
- ": #1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
- ": #.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, ",
- ": @4,$0~arc_ltr,O,$0~arc_lbr, ",
- ": |,#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##,",
- ": #.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ")
- %------------------------------------------------------
- fsize:=(50mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc)) fi
-endfigm
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-bye
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,19 +1,37 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2022.11.12
+% Molecular Coding Format manual by Akira Yamaji 2023.01.09
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% ** mcf2graph.mf must be version 4.91
+% ** use mcf_library.mcf
+% ** typeset by LuaLaTeX(luamplib)
+%----------------------------------------------------------------------------
\documentclass[a4paper]{article}
-%%%\usepackage{graphicx}
-%%%\usepackage{hyperref}
-\usepackage[pdftex]{graphicx}
-\usepackage[pdftex]{hyperref}
-%%%\usepackage[dvipdfmx]{graphicx}
-%%%\usepackage[dvipdfmx]{hyperref}
+\usepackage{textcomp,verbatim}%
+\usepackage[luatex]{graphicx}
+\usepackage[luatex]{hyperref}
\usepackage{makeidx}
+\usepackage{luamplib}
+\mplibnumbersystem{double}
\makeindex
\hypersetup{colorlinks=true,linkcolor=blue}
-\usepackage{mcf_setup}
-\edef\MCFjobname{mcf_man_soc}%
%----------------------------------------------------------------------------
+\mplibcodeinherit{enable}%
+\mplibverbatim{enable}%
+\mpliblegacybehavior{disabled}%
+\everymplib{%
+ if unknown Ph1: input mcf2graph; fi
+ sw_output:=Fig+Calc;
+ tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
+ outputformat:="eps";
+ fsize:=(60mm,35mm);
+ blength:=0mm;
+ max_blength:=10mm;
+ ratio_thickness_bond:=0.015;
+ ratio_atom_bond:=0.36;
+ sw_frame:=Outside;
+ fmargin:=(2mm,1mm);
+}%
+%----------------------------------------------------------------------------
\edef\fext{mps}%
\topmargin=-18mm
\textheight=254mm
@@ -23,33 +41,6 @@
%%%%\evensidemargin=-7mm
\unitlength=1mm%
%----------------------------------------------------------------------------
-\newcount \fnum%
-\newdimen \htman%
-\newdimen \wdman%
-\newdimen \htmans%
-\newbox \fbox%
-%----------------------------------------------------------------------------
-\htman=45mm%
-\wdman=94mm%
-\htmans=42mm%
-\fnum=1%
-%----------------------------------------------------------------------------
-\makeatletter
-%----------------------------------------------------------------------------
-\def\MCFgraph{%
-\edef\file at name{\MCFjobname-\z at num\fnum.\fext}%
-\includegraphics{\file at name}%
-\global\advance\fnum\@ne\relax%
-}%
-%----------------------------------------------------------------------------
-\def\put at char{%
- \begin{picture}(75,100)%
- \put(0,95){\bf [\NO]\EN}%
- \put(5,90){\small\tt FM:\fm{ }MW:\mw}%
- \put(5,0){\MCFgraph}%
- \end{picture}%
-}%
-%----------------------------------------------------------------------------
\begin{document}
\title{\Huge\sf Molecular Coding Format manual}
\author{Akira Yamaji}
@@ -60,13 +51,123 @@
%-----------------------------------------------------------------------------
\thispagestyle{empty}
\vspace{5mm}%
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph\\
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph\\
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph\\
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph\\
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph\\
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph\\
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph
+\quad
+\begin{mplibcode}
+fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
+beginfigm("EN:Glycine",":<30,NH2,!2,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Alanine",":<30,NH2,!~wb,/_,!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Valine",":<30,NH2,!~wb,/?!,!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Leucine",":<30,NH2,!~wb,/'(!,?!),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
+\\
+\begin{mplibcode}
+fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
+beginfigm("EN:L-Isoleucine",":<30,NH2,!~wb,/'(/*_,!2),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Serine",":<30,NH2,!~wb,/!OH,!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Threonine",":<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Cysteine",":<30,NH2,!~wb,/!SH,!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
+\\
+\begin{mplibcode}
+fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
+beginfigm("EN:L-Methionine",":<30,NH2,!~wb,/'(!2,S,!),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Phenylalanine",":<30,NH2,!~wb,/!Ph,!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Tyrosine",":<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Triptophan",
+ ":<30,NH2,!~wb,!,COOH, at 2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
+\\
+\begin{mplibcode}
+fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
+beginfigm("EN:L-Prorine",":<18,?5,3:NH,4:*/COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Glutamine",
+ ":<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!,//O,!,NH2")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Asparagine",":<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Aspartic acid",":<30,NH2,!~wb,/!COOH,!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
+\\
+\begin{mplibcode}
+fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
+beginfigm("EN:L-Glutamic acid",":<30,NH2,!~wb,/'(!2,COOH),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Lysine",":<30,NH2,!~wb,/'(!4,NH2),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Arginine",
+ ":<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!2,NH,!,//NH,!,NH2")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Hystidine",
+ ":<30,NH2,!~wb,!,COOH, at 2,\,!,|,?5,{1,3}=dl,3:N,5:NH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
+\\
+\begin{mplibcode}
+fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
+beginfigm("EN:L-DOPA",":<30,NH2,!~wb,!,COOH, at 2,\,!,Ph,{-3,-4}:/OH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:Ornithine",":<30,NH2,!~wb,/'(!3,NH2),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:Citrulline",":<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:GABA",":<30,NH2,!4,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
+\\
+\begin{mplibcode}
+fsize:=(40mm,25mm); blength:=6mm; sw_frame:=0;
+beginfigm("EN:amino Levulinic acid",":<30,NH2,!2,//O,!3,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:4-amino benzoic acid",":<30,Ph,1:/NH2,4:/COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Carboxyl glutamic acid",
+ ":<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:L-Hydroxy Prorine",":<18,?5,1:/OH,3:NH,4:*/COOH")
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\twocolumn
\thispagestyle{empty}
@@ -95,9 +196,29 @@
<10,-30,45,-45,60,$300,$0
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Chain 1")
+ fsize:=(60mm,17mm);
+ sw_numbering:=Bond;
+ numbering_end:=6;
+ ratio_chain_ring:=1;
+%----------------------------------------------------------------------
+ MC(<15,-30,45,-45,60,$300,$0,
+ {1^$15,2^$345,3^$30,4^$345}:/_~dt,{5,6}=vf,
+ )
+ add(
+ defaultscale:=0.5;
+ labeloffset:=2bp;
+ drawarrow B7/*.7{B7right}..{B1right}B1/*.7; label.ulft("-30",B7/*.7);
+ drawarrow B8/*.7{B8left}..{B2left}B2/*.7; label.llft("45",B8/*.7);
+ drawarrow B9/*.7{B9right}..{B3right}B3/*.7; label.ulft("-45",B9/*.7);
+ drawarrow B10/*.7{B10left}..{B4left}B4/*.7; label.llft("60",B10/*.7);
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsubsection{Chain use !,!n}
+\subsubsection{Chain with !,!n}
\index{"!}%
\begin{verbatim}
! : take value 60 or -60 depend on
@@ -106,7 +227,29 @@
<-30,!6
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Chain 2")
+ fsize:=(60mm,17mm);
+ sw_numbering:=Bond;
+ numbering_end:=6;
+ ratio_chain_ring:=1;
+%----------------------------------------------------------------------
+ MC(<-30,!6,
+ {1^-120,2^60,3^-60,4^60,5^-60,6^60}:/_~dt
+ )
+ add(
+ defaultscale:=0.5;
+ labeloffset:=2bp;
+ drawarrow B7/*.7{B7right}..{B1right}B1/*.7; label.ulft("-60",B7/*.7);
+ drawarrow B8/*.7{B8left}..{B2left}B2/*.7; label.llft("60",B8/*.7);
+ drawarrow B9/*.7{B7right}..{B3right}B3/*.7; label.ulft("-60",B9/*.7);
+ drawarrow B10/*.7{B10left}..{B4left}B4/*.7; label.llft("60",B10/*.7);
+ drawarrow B11/*.7{B11right}..{B5right}B5/*.7; label.ulft("-60",B11/*.7);
+ drawarrow B12/*.7{B12left}..{B6left}B6/*.7; label.llft("60",B12/*.7);
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Jump to atom}
\index{"@}%
@@ -116,8 +259,18 @@
<-30,!6, at 3,0,!, at 5,-30
\end{verbatim}
-\MCFgraph
-%------------------------------------
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Jump and Branch")
+ fsize:=(60mm,16mm);
+ fmargin:=(2mm,2mm);
+ sw_trimming:=1;
+ sw_numbering:=Atom;
+ ratio_chain_ring:=1;
+ MC(<-30,!6, at 3,0,!, at 5,-30)
+endfigm
+\end{mplibcode}
+%-----------------------------------------------------------------------------
\subsubsection{Branch bond}
\index{\textbackslash}%
\begin{verbatim}
@@ -125,7 +278,17 @@
<-30,!6, at 3,\,!
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Jump and Branch")
+ fsize:=(60mm,16mm);
+ fmargin:=(2mm,2mm);
+ sw_numbering:=Atom;
+ sw_trimming:=1;
+ ratio_chain_ring:=1;
+ MC(<-30,!6, at 3,\,!)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Branch modified bond}
\index{*\textbackslash}%
@@ -142,7 +305,18 @@
<30,!8,
@2,\,!, at 4,*\,!, at 6,\*,!, at 8,\\,!, at 10,*\*,!
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:branch1")
+ fsize:=(60mm,16mm);
+ fmargin:=(2mm,2mm);
+ sw_numbering:=Atom;
+ sw_trimming:=1;
+ numbering_end:=10;
+ ratio_chain_ring:=1;
+ MC(<30,!10, at 2,\,!, at 4,*\,!, at 6,\*,!, at 8,\\,!, at 10,*\*,!)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\index{\textasciicircum}% ^
\index{\textasciitilde}% ~
@@ -153,7 +327,19 @@
\`1.5,-90 : 0`1.5,-90
\^15,-60 : 0^15,-60
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:branch2")
+ fsize:=(60mm,20mm);
+ fmargin:=(2mm,2mm);
+ sw_trimming:=1;
+ sw_numbering:=Atom;
+ numbering_end:=7;
+ ratio_chain_ring:=1;
+ %-------------------------
+ MC(<30,!6, at 2,\~dr,!, at 4,\`1.5,-90, at 6,15,-60)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Connect atom}
\index{\&}%
@@ -162,7 +348,18 @@
<-30,!6, at 3,\,!3,&6~bd, at 9,&4~bz
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Connect atom")
+ fsize:=(60mm,20mm);
+ fmargin:=(2mm,2mm);
+ sw_trimming:=1;
+ sw_numbering:=Atom;
+ ratio_chain_ring:=1;
+ %----------------------------------
+ MC(<-30,!6, at 3,\,!3,&6~bd, at 9,&4~bz)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Ring}
\index{?}%
@@ -171,7 +368,17 @@
?6 : <-120,60,60,60,60,60,&1
?6
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ring")
+ fsize:=(60mm,20mm);
+ sw_trimming:=1;
+ fmargin:=(2mm,3mm);
+ sw_numbering:=Bond;
+ %---------------------------
+ MC(?6)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Rotate current angle}
\index{\textgreater}%
@@ -180,7 +387,25 @@
0,0,<90,0,<-90,0,<$315,0,<$90,0,<$0,0
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:rotate 1")
+ fsize:=(60mm,20mm);
+ fmargin:=(2mm,3mm);
+ sw_trimming:=1;
+ sw_numbering:=Bond;
+ ratio_chain_ring:=1;
+ numbering_end:=7;
+ defaultscale:=0.5;
+ labeloffset:=2bp;
+ MC(#1,0,0,<90,0,<-90,0,<$315,0,<$90,0,<$0,0,{1:7}=vf,
+ {3,4^180}:/_~dt)
+ add(
+ drawarrow B8/*.7{B8left}..{B3left}B3/*.7; label.urt("90",B8/*.7);
+ drawarrow B9/*.7{B9right}..{B4right}B4/*.7; label.urt("-90",B9/*.7);
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Change bond type}
\subsubsection{Double,triple,wedge,vector}
@@ -206,7 +431,24 @@
<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm
<-30,!~dm,!,!~dl,!,!~dr,!! ,!! ,!,!!!
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change bond 1")
+ fsize:=(70mm,10mm);
+ fmargin:=(2mm,2mm);
+ sw_trimming:=0;
+ ratio_chain_ring:=1;
+ MC(<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm)
+ add(defaultscale:=0.6; labeloffset:=0;
+ label.rt("(dm)",A1+(0,-0.7l));
+ label.rt("(dl)",A3+(0,-0.7l));
+ label.rt("(dr)",A5+(0,-0.7l));
+ label.rt("(db)",A6+(0,-0.2l));
+ label.rt("(db)",A7+(0,-0.7l));
+ label.rt("(tm)",A9+(0,-0.7l));
+ )
+endfigm
+\end{mplibcode}
\vspace{-3mm}%
%-----------------------------------------------------------------------------
%%\subsubsection{Wedge}
@@ -229,7 +471,24 @@
<-30,
!~wf,!,!~wb,!,!~zf,!,!~zb,!,!~vf,!~vb
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change bond 2")
+ fsize:=(70mm,10mm);
+ fmargin:=(2mm,2mm);
+ sw_trimming:=0;
+ ratio_chain_ring:=1;
+ MC(<-30,!~wf,!,!~wb,!,!~zf,!,!~zb,!,!~vf,!,!~vb)
+ add(defaultscale:=0.6; labeloffset:=0;
+ label.rt("(wf)",A1+(0,-0.7l));
+ label.rt("(wb)",A3+(0,-0.7l));
+ label.rt("(zf)",A5+(0,-0.7l));
+ label.rt("(zb)",A7+(0,-0.7l));
+ label.rt("(vf)",A9+(0,-0.7l));
+ label.rt("(vb)",A11+(0,-0.7l));
+ )
+endfigm
+\end{mplibcode}
\vspace{-3mm}%
%-----------------------------------------------------------------------------
%%\subsubsection{Dotted,wave}
@@ -246,7 +505,23 @@
<-30,!7,1=dt,3=wv,5=bd,7=bz
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change bond 3")
+ fsize:=(70mm,10mm);
+ fmargin:=(2mm,2mm);
+ blength:=9mm;
+ sw_trimming:=1;
+ ratio_chain_ring:=1;
+ MC(<-30,!7,1=dt,3=wv,5=bd,7=bz)
+ add(defaultscale:=0.6; labeloffset:=0;
+ label.rt("(dt)",A1+(0,-0.6l));
+ label.rt("(wv)",A3+(0,-0.6l));
+ label.rt("(bd)",A5+(0,-0.6l));
+ label.rt("(bz)",A7+(0,-0.6l));
+ )
+endfigm
+\end{mplibcode}
\vspace{-3mm}%
%-----------------------------------------------------------------------------
\subsubsection{Over line}
@@ -274,7 +549,17 @@
{2~si_,4~wf_,6~wb_,8~zf_,10~zb_,
12~bd_,14~dl_,16~dr_,18~dm_}:/_`2
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:over line")
+ sw_trimming:=1;
+ fsize:=(75mm,20mm);
+ ratio_chain_ring:=1;
+ MC(<30,!18,$90`1.5,90`15.5,
+ {2~si_,4~wf_,6~wb_,8~zf_,10~zb_,
+ 12~bd_,14~dl_,16~dr_,18~dm_}:/_`2)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Steric ring}
\index{wf\_r}%
@@ -289,7 +574,21 @@
120,O,30,&1,##,#.5,6^$90:/!OH,
{1^$-90,2^$90,3^$-90,4^$90}:/OH,
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Steric ring")
+ fsize:=(75mm,16mm);
+ MCat(0.05,0.5)(#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##,
+ #.5,{1^$-90,2^$90,3^$-90,4^$90}:/OH,6^$90:/!OH)
+ defaultscale:=0.6;
+ MCat(0.5,0.7)(0~wf_r) add(label.lft("wf_r:",A1);)
+ MCat(0.5,0.2)(0~wf) add(label.lft("wf:",A1);)
+ MCat(0.75,0.7)(0~bd_r) add(label.lft("bd_r:",A1);)
+ MCat(0.75,0.2)(0~bd) add(label.lft("bd:",A1);)
+ MCat(1,0.7)(0~wb_r) add(label.lft("wb_r:",A1);)
+ MCat(1,0.2)(0~wb) add(label.lft("wb:",A1);)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Change multiple bond type}
\index{vf}%
@@ -298,7 +597,15 @@
<30,!7,{2,4,6,8'}=dl
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change multi bond")
+ fsize:=(60mm,8mm);
+ fmargin:=(2mm,3mm);
+ ratio_chain_ring:=1;
+ MC(<30,!9,{2,4,6,8'}=dl)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Change bond length}
\subsubsection{Chain length}
@@ -308,7 +615,14 @@
<-30,!2,!4`1.2,!2
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change bond length1")
+ fsize:=(55mm,8mm);
+ sw_numbering:=Bond;
+ MC(<-30,!2,!4`1.2,!2)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\index{\#}%
\index{\#\#}%
@@ -318,7 +632,14 @@
<-30,!2,#1.2,!4,##,!2
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change bond length2")
+ fsize:=(55mm,8mm);
+ sw_numbering:=Bond;
+ MC(<-30,!2,#1.2,!4,##,!2)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Ring length}
\begin{verbatim}
@@ -326,7 +647,16 @@
?6, at 4,\,?6`1.2
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change ring length")
+ fsize:=(60mm,16mm);
+ fmargin:=(2mm,2mm);
+ sw_trimming:=1;
+ sw_numbering:=Bond;
+ MC(?6, at 4,\,?6`1.2)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Change atom}
\subsubsection{Insert atom}
@@ -335,7 +665,14 @@
<-30,!2,O,!2,N,!2
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Insert atom")
+ sw_trimming:=1;
+ fsize:=(50mm,7mm);
+ MC(<-30,!2,O,!2,N,!2)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Addressed atom}
\index{:}%
@@ -345,7 +682,16 @@
<30,!4,2:O,{3,4}:N
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change atom",":<30,!5,2:O,{3,4}:N")
+ fsize:=(70mm,10mm);
+ msize:=(0.48,1);
+ MCat(0,0.5)(scantokens(mc))
+ sw_numbering:=Atom;
+ MCat(1,0.5)(scantokens(mc))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Brock address}
\index{\textbar}% |
@@ -354,7 +700,17 @@
?6, at 4,\,|,?6,2:O
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change atom brock address 1",":?6, at 4,\,|,?6,2:O")
+ fsize:=(70mm,14mm);
+ fmargin:=(3mm,1.5mm);
+ MCat(0,.5)(scantokens(mc))
+ sw_numbering:=Atom;
+ msize:=(1,.88);
+ MCat(1,.5)(scantokens(mc))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Reset brock address}
\index{\textbar\textbar}% ||
@@ -363,7 +719,17 @@
?6, at 4,\,|,?6,||,2:N
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change atom brock address 2",":?6, at 4,\,|,?6,||,2:N")
+ fsize:=(70mm,14mm);
+ fmargin:=(3mm,1.5mm);
+ MCat(0,.5)(scantokens(mc))
+ sw_numbering:=Atom;
+ msize:=(1,.88);
+ MCat(1,.5)(scantokens(mc))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Absolute address}
\index{\$}% $
@@ -372,7 +738,17 @@
?6, at 4,\,|,?6,$2:N
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change atom absolute address",":?6, at 4,\,?6,$2:N")
+ fsize:=(70mm,14mm);
+ fmargin:=(3mm,1.5mm);
+ MCat(0,.5)(scantokens(mc))
+ sw_numbering:=Atom;
+ msize:=(1,.88);
+ MCat(1,.5)(scantokens(mc))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Relative address}
\begin{verbatim}
@@ -380,7 +756,17 @@
?6, at 4,\,?6,-2:N
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change atom relative adress",":?6, at 4,\,?6,-2:N")
+ fsize:=(70mm,14mm);
+ fmargin:=(3mm,1.5mm);
+ MCat(0,.5)(scantokens(mc))
+ sw_numbering:=Atom;
+ msize:=(1,.88);
+ MCat(1,.5)(scantokens(mc))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Charged atom}
\begin{verbatim}
@@ -389,7 +775,14 @@
<-30,!2,N,??,p_,!2,S,n_^180,
!6,7:N,7:??,9:S,7:n_,9:n_^180
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Charged atom")
+ sw_trimming:=1;
+ fsize:=(60mm,12mm);
+ MC(<-30,!2,N,??,p_,!2,S,n_^180,!6,7:N,7:??,9:S,7:p_,9:n_^180)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\newpage
%-----------------------------------------------------------------------------
@@ -403,7 +796,16 @@
?6,3=?6
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:fused ring")
+ fsize:=(60mm,18mm);
+ fmargin:=(2mm,1.5mm);
+ sw_trimming:=1;
+ sw_numbering:=Bond;
+ MC(<30,?6,3=?6,3=dt,{7:11}=bd_r)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\begin{verbatim}
** fused ring size depend on
@@ -411,7 +813,17 @@
?6, at 4,\,?6`1.2,5=?6,11=?6
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change ring length")
+ fsize:=(60mm,25mm);
+ fmargin:=(2mm,2mm);
+ sw_trimming:=1;
+ sw_numbering:=Bond;
+ MC(?6, at 4,\,?6`1.2,5=?6,11=?6,
+ {14:23}=bd_r,{5,11}=dt)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\begin{verbatim}
?6,3=?6[13] : fuse ?6[13] at B3
@@ -420,15 +832,33 @@
?6,3=?6[13]
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:fused large 6 ring")
+ fsize:=(60mm,18mm);
+ fmargin:=(2mm,1.5mm);
+ margin_top_bottom:=1.5mm;
+ sw_numbering:=Bond;
+ sw_trimming:=1;
+ MC(<30,?6,3=?6[13],3=dt,{7:11}=bd_r)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\begin{verbatim}
?6,{-3,-4,-4,-2,-2,-4,-4}=?6
?6,{4,8,13,20,25,28,33}=?6
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:fuse multi ring")
+ fsize:=(70mm,20mm);
+ fmargin:=(2mm,2mm);
+ sw_numbering:=Bond;
+ sw_trimming:=1;
+ MC(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
-%%%\subsubsection{Attached 2 bond}
\index{--}%
\begin{verbatim}
(Attached 2 bond)
@@ -441,12 +871,25 @@
2:<30,?6,3=?6,11--4=?5
3:<30,?6,3=?6,11--4=?4
\end{verbatim}
-\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
-\end{verbatim}
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:fused ring 2")
+ fsize:=(75mm,20mm);
+ fmargin:=(2mm,2mm);
+ sw_numbering:=Bond;
+ msize:=(1,.9);
+ MCat( 0,.5)(<30,?6,{3,11--4}=?6,{11,4}=dt,{12:15}=bd_r)
+ add(defaultscale:=0.4; label("(1)",p0);)
+ msize:=(1,.9);
+ MCat(.5,.5)(<30,?6,3=?6,{11--4}=?5,{11,4}=dt,{12:14}=bd_r)
+ add(defaultscale:=0.4; label("(2)",p0);)
+ msize:=(1,.9);
+ MCat( 1,.5)(<30,?6,3=?6,{11--4}=?4,{11,4}=dt,{12,13}=bd_r)
+ add(defaultscale:=0.4; label("(3)",p0);)
+endfigm
+\end{mplibcode}
+%%%%%%%\vspace{-3mm}%
%-----------------------------------------------------------------------------
-%%%\subsubsection{Attached 3 bond}
\index{---}%
\begin{verbatim}
(Attached 3 bond)
@@ -458,12 +901,20 @@
2:?6,{3,10}=?6,16---4=?5
\end{verbatim}
-\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
-\end{verbatim}
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:fused ring 3")
+ fsize:=(60mm,20mm);
+ fmargin:=(2mm,2mm);
+ sw_numbering:=Bond;
+ MCat(0,1)(?6,{3,10}=?6,16---4=?6,{16,4}=dt,{17:19}=bd_r)
+ add(defaultscale:=0.4; label("(1)",p0);)
+ MCat(1,0)(?6,{3,10}=?6,16---4=?5,{16,4}=dt,{17,18}=bd_r)
+ add(defaultscale:=0.4; label("(2)",p0);)
+endfigm
+\end{mplibcode}
+%%%%%%%%\vspace{-3mm}%
%-----------------------------------------------------------------------------
-%%%%\subsubsection{Attached 4 bond}
\index{----}%
\begin{verbatim}
(Attached 4 bond)
@@ -473,7 +924,15 @@
<-30,?6,{3,10,15,21----4}=?6
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:fused ring 4")
+ fsize:=(60mm,20mm);
+ fmargin:=(2mm,2mm);
+ sw_numbering:=Bond;
+ MC(<-30,?6,{3,10,15}=?6,21----4=?6,{21,4}=dt,{22,23}=bd_r)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Spiro ring}
\begin{verbatim}
@@ -481,7 +940,16 @@
<30,!6, at 4,?5
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Spiro ring ")
+ fsize:=(40mm,15mm);
+ sw_numbering:=Atom;
+ numbering_end:=7;
+ ratio_chain_ring:=1;
+ MC(<30,!6, at 4,?5)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Group}
\subsubsection{Insert group}
@@ -490,14 +958,23 @@
\begin{verbatim}
/ : group start single bond
-/_ : methyl /! : ethyl
-/!2 : propyl /?! : isopropyl
-/??! : tert-butyl /Ph : phenyl
+/_ : methyl
+/! : ethyl
+/!2 : propyl
+/?! : isopropyl
+/??! : tert-butyl
+/Ph : phenyl
<30,!,/_,!2,/!,!2,/!2,!4,/?!,
!4,/??!,!2,/Ph^-60,!
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:group 1")
+ fsize:=(75mm,18mm);
+ MC(<30,!,/_,!2,/!,!2,/!,!4,/?!,!4,/??!,!2,/'(Ph`0.8)^-60,!)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Insert modified group}
\index{//}%
@@ -514,7 +991,20 @@
<30,!,//O,!2,*/H,!2,/*H,!2,*/*H,!2,**?3,!
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:group 2")
+ fsize:=(70mm,14mm);
+ MC(<30,!`1,//O,!2`1,*/H,!2`1,/*H,!2`1,*/*H,!2`1,**?3,!`1)
+ add(defaultscale:=0.75;
+ label("//",A2-(0,0.45l));
+ label("*/",A4-(0,0.45l));
+ label("/*",A6-(0,0.45l));
+ label("*/*",A8-(0,0.45l));
+ label("**",A10-(0,0.45l));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\index{\textasciicircum}% ^
\index{\textasciitilde}% ~
@@ -529,7 +1019,14 @@
<-30,``1,!,
/_`2^30,!2,/!2>lr,!2,/!2>rl,!)
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:group 3")
+ fsize:=(60mm,16mm);
+ sw_trimming:=1;
+ MC(<-30,#1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Add group}
\begin{verbatim}
@@ -537,7 +1034,17 @@
8:/tBu,10:/'(Ph`0.6)^-15,
{11,12,13'}:*/_,{15,16,17'}:/*_
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:group 3")
+ fsize:=(75mm,25mm);
+ fmargin:=(2mm,2mm);
+ sw_numbering:=Atom;
+ numbering_end:=17;
+ MC(<30,!17,2:/_,3:/!,4:/!2,7:/iPr,8:/tBu,10:/'(Ph`0.6)^-15,
+ {11,12,13'}:*/_,{15,16,17'}:/*_)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Add modified group}
\begin{verbatim}
@@ -545,7 +1052,16 @@
<30,!6,{2~wf,4~zf,6^-30,8^$120}:/_
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:group 4")
+ fsize:=(60mm,18mm);
+ sw_trimming:=1;
+ fmargin:=(2mm,2mm);
+ sw_numbering:=Atom; numbering_end:=9;
+ MC(<30,!8`1,{2~wf,4~zf,6^-30,8^$120}:/_)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\begin{verbatim}
@@ -553,7 +1069,16 @@
<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:group 5")
+ fsize:=(60mm,16mm);
+ sw_trimming:=1;
+ sw_numbering:=Atom;
+ numbering_end:=8;
+ MC(<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\newpage
%-----------------------------------------------------------------------------
@@ -570,7 +1095,25 @@
{3^-90,3^-30,3^90}:/!3>hz,
{1^-60,1,1^60}:/!3>vt
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:chain strech direction mode 1")
+ fsize:=(50mm,25mm);
+ sw_trimming:=1;
+ ratio_chain_ring:=1;
+ MC(?4,{3^-90,3^-30,3^90}:/!3>hz,
+ {1^-60,1,1^60}:/!3>vt
+ )
+ add(defaultscale:=0.5; labeloffset:=2bp;
+ label.rt(">hz",A8);
+ label.top(">hz",A12);
+ label.top(">hz",A16);
+ label.rt(">vt",A20);
+ label.top(">vt",A24);
+ label.rt(">vt",A28);
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Left-right,right-left}
\index{lr}%
@@ -583,7 +1126,14 @@
{3^-30,3,3^30}:/!3>lr,
{5^-30,5,5^30}:/!3>rl
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Left-right_right-left")
+ fsize:=(40mm,20mm);
+ sw_trimming:=1;
+ MC(<30,!4,2:/!6>30,4:/!4>-45)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Fixed rotate angle}
\index{\textgreater}%
@@ -595,7 +1145,14 @@
4:/!4>-45 % 4:\,-45,-45,-45,-45
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Fixed rotate angle")
+ fsize:=(40mm,20mm);
+ sw_trimming:=1;
+ MC(<30,!4,2:/!6>30,4:/!4>-45)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Multiple rotate angle}
\begin{verbatim}
@@ -603,7 +1160,14 @@
<30,!6,6>'(90,-90,90,-90,90):/!5
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Multiple rotate angle")
+ fsize:=(60mm,20mm);
+ sw_trimming:=1;
+ MC(<30,!6,6>'(90,-90,90,-90,90):/!5)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\newpage
\subsection{Miscellaneous}
@@ -620,7 +1184,15 @@
<-30,!2,NH,!2,N!,!2,N!2,SO,!2,SOO,!
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:change atom and group")
+ fsize:=(60mm,12mm);
+ sw_trimming:=1;
+ MC(<-30,!2,NH,!2,N!,!2,N!2,!2,SO,!2,SOO,!)
+endfigm
+\end{mplibcode}
+%-----------------------------------------------------------------------------
\index{?"!}%
\index{??}%
\index{??"!}%
@@ -632,7 +1204,14 @@
<30,!9`1,?!,!,??,!,2:??,4:/??,6:/??!,8:/N?!
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:methyl*2,isopropyl,tert-butyl")
+ fsize:=(60mm,12mm);
+ sw_trimming:=1;
+ MC(<30,!9`1,?!,!,??,!,2:??,4:/?!,6:/??!,8:/N?!)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Parts definition}
\begin{verbatim}
@@ -641,13 +1220,29 @@
iBuOH:='(!,/_,!,OH);
MC(<30,?6,{4,6}:/iBuOH)
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:User definition")
+ fsize:=(60mm,13mm);
+ sw_trimming:=1;
+ iBuOH:='(!,/_,!,OH);
+ MC(<30,?6,{4,6}:/iBuOH)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Parts inline definition}
\begin{verbatim}
<30,!8,{2,6}:/'(!,/_,!,OH)
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Inline definition")
+ fsize:=(60mm,13mm);
+ fmargin:=(2mm,1mm);
+ sw_trimming:=1;
+ MC(<30,!8,{2,6}:/'(!,/_,!,OH))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Move position}
\index{"@()}%
@@ -658,7 +1253,23 @@
<30,?6, at 3,!4,//O,!,O,n_^60,@$(6,1),H,p_^15
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Move position")
+ fsize:=(70mm,16mm);
+ fmargin:=(2mm,1mm);
+ sw_trimming:=1;
+ MC(<30,?6, at 3,\,!3,//O,!,O,n_^60,@$(6,1),H,p_^15)
+ add(drawdot A1 withpen pencircle scaled 2bp;
+ pickup pencircle scaled 0.1bp;
+ for i=0 upto 6:
+ draw (A1+(l*i,l-3bp))--(l*i,l+3bp);
+ endfor
+ draw A1--(A1+(0,1l))--A1+(6l,1l);
+ draw (A1+(0,1l))--(A1+(-3bp,1l));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Serial number}
\index{\-\-}%
@@ -666,9 +1277,17 @@
6:10 : 6,7,8,9,10
<30,!14,{2,6:10,14}:/_~bd_r`0.5
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Serial number")
+ fsize:=(75mm,14mm);
+ max_blength:=8mm;
+ sw_numbering:=Atom; numbering_end:=15;
+ MC(<30,!14,{2,6:10,14}:/_~bd_r`0.5)
+endfigm
+\end{mplibcode}
+%-----------------------------------------------------------------------------
\newpage
-%-----------------------------------------------------------------------------
\subsubsection{Change color}
\index{red}%
\index{blue}%
@@ -685,7 +1304,17 @@
)
endfigm
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Change color")
+ fsize:=(50mm,20mm);
+ max_blength:=8mm;
+ MC(
+ <30,Ph,{2,5}:N,3:/NH2,4:/COOH,
+ 2:red,5:blue,3=green
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Change font}
\index{atomfont}%
@@ -697,7 +1326,15 @@
MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
endfigm
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Change font")
+ fsize:=(50mm,20mm);
+ max_blength:=8mm;
+ atomfont:="cmr8";
+ MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
+endfigm
+\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\section{Option parameter}
%------------------------------------------------------------------------------
@@ -710,7 +1347,19 @@
mangle:=30;
MCat(0.8,0.5)(Ph)
\end{verbatim}
-\MCFgraph
+%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:mangle")
+ fsize:=(50mm,15mm);
+ blength:=6mm;
+ mangle:=0;
+ MCat(0.2,0.5)(Ph)
+ add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);)
+ mangle:=30;
+ MCat(0.8,0.5)(Ph)
+ add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);)
+endfigm
+\end{mplibcode}
%------------------------------------------------------------------------------
\subsection{Size/Ratio parameter}
%-----------------------------------------------------------------------------
@@ -720,14 +1369,41 @@
(fit to figure size)
blength=0 ** default
\end{verbatim}
-\MCFgraph
%-----------------------------------------
+\begin{mplibcode}
+beginfigm("EN:blength=0")
+ sw_frame:=Bothside;
+ fsize:=(40mm,15mm);
+ MC(<30,Ph)
+ ext(pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ )
+endfigm
+\end{mplibcode}
+%-----------------------------------------
\begin{verbatim}
(ratio bond/figure width)
blength=0.1 ** (0<blength<=1)
blength=60mm(width)*0.1=6mm
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:0<blength=<1")
+ sw_frame:=Bothside;
+ fsize:=(40mm,15mm);
+ blength:=0.1;
+ MC(<30,Ph)
+ ext(pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------
\begin{verbatim}
(bond length)
@@ -734,7 +1410,21 @@
blength=9mm
** (blength>1) ignore msize(w,h)
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:blength>1")
+ sw_frame:=Bothside;
+ fsize:=(40mm,15mm);
+ blength:=8mm;
+ MC(<30,Ph)
+ ext(pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ )
+endfigm
+\end{mplibcode}
%------------------------------------------------------------------------------
\subsubsection{Molecular size}
\index{msize}%
@@ -741,18 +1431,60 @@
\begin{verbatim}
msize=(1,1) ** default
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:msize=(1)")
+ sw_frame:=Bothside+Mol;
+ fsize:=(40mm,15mm);
+ msize:=(1,1);
+ MC(<30,Ph)
+ ext(pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------
\begin{verbatim}
msize=(0.25,1)
msize=40mm-4mm*0.25=9mm
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:msize=(0.25,1)")
+ sw_frame:=Bothside+Mol;
+ fsize:=(40mm,15mm);
+ msize:=(0.25,1);
+ MC(<30,Ph)
+ ext(pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------
\begin{verbatim}
msize=(11mm,11mm)
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:msize=(11mm,11mm)")
+ sw_frame:=Bothside+Mol;
+ fsize:=(40mm,15mm);
+ msize:=(11mm,11mm);
+ MC(<30,Ph)
+ ext(pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ )
+endfigm
+\end{mplibcode}
%------------------------------------------------------------------------------
\subsubsection{Molecular position}
\index{mposition}%
@@ -759,17 +1491,51 @@
\begin{verbatim}
mposition=(0.5,0.5) ** default
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:mposition")
+ sw_frame:=Bothside+Mol;
+ fsize:=(40mm,15mm);
+ msize:=(1,0.8);
+ mposition:=(0.5,0.5);
+ MC(<30,Ph)
+endfigm
+\end{mplibcode}
%--------------------------------------------------------------
\begin{verbatim}
mposition=(1,0)
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:mposition")
+ sw_frame:=Bothside+Mol;
+ fsize:=(40mm,15mm);
+ msize:=(1,0.8);
+ mposition:=(1,0);
+ MC(<30,Ph)
+endfigm
+\end{mplibcode}
%--------------------------------------------------------------
\begin{verbatim}
mposition=(10mm,4mm)
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:mposition")
+ sw_frame:=sw_frame+Mol;
+ fsize:=(40mm,15mm);
+ msize:=(1,0.8);
+ mposition:=(10mm,4mm);
+ MC(<30,Ph)
+ ext(drawdot p1 withpen pencircle scaled 3pt;
+ pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ )
+endfigm
+\end{mplibcode}
%------------------------------------------------------------------------------
\subsection{Size parameter}
%-----------------------------------------------------------------------------
@@ -781,7 +1547,20 @@
fsize=(40mm,15mm)
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Figure size")
+ fsize:=(40mm,12mm);
+ sw_frame:=Outside;
+ MC(<30,Ph)
+ ext(pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Figure margin}
\index{fmargin}%
@@ -791,7 +1570,22 @@
fmargin=(10mm,2mm)
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:fmargin")
+ fsize:=(40mm,12mm);
+ sw_frame:=Bothside+Mol;
+ fmargin:=(10mm,1mm);
+ MC(<30,Ph)
+ ext(pickup pencircle scaled 0.2pt;
+ for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
+ for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
+ for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
+ for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor
+ drawdot p0 withpen pencircle scaled 3pt;
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Offset thickness of bond}
\index{offset\_thickness}%
@@ -798,7 +1592,20 @@
\begin{verbatim}
default: offset_thickness=0.2pt
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:offset_thickness",":<30,Ph")
+ fsize:=(60mm,12mm);
+ offset_thickness:=0.0pt; MCat(0.1,0.5)(scantokens(mc))
+ offset_thickness:=0.2pt; MCat(0.55,0.5)(scantokens(mc))
+ offset_thickness:=0.5pt; MCat(1,0.5)(scantokens(mc))
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.0pt",(0,1bp));
+ label.urt("0.2pt",(0.36w,1bp));
+ label.urt("0.5pt",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Offset of double bond gap}
\index{offset\_bond\_gap}%
@@ -805,7 +1612,20 @@
\begin{verbatim}
default: offset_bond_gap=0.3pt
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:offset_bond_gap",":<30,Ph")
+ fsize:=(60mm,12mm);
+ offset_bond_gap:=0.0pt; MCat(0.1, 0.5)(scantokens(mc))
+ offset_bond_gap:=0.3pt; MCat(0.55,0.5)(scantokens(mc)) %<<== default
+ offset_bond_gap:=1.0pt; MCat(1, 0.5)(scantokens(mc))
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.0pt",(0,1bp));
+ label.urt("0.3pt",(0.36w,1bp));
+ label.urt("1.0pt",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Offset of atom width}
\index{offset\_atom}%
@@ -812,7 +1632,20 @@
\begin{verbatim}
default: offset_atom=0.8pt
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:offset_atom")
+ fsize:=(60mm,12mm);
+ offset_atom:=0.0pt; MCat(0.1, .5)(<30,?6,3:O)
+ offset_atom:=0.8pt; MCat(.55, .5)(<30,?6,3:O) %<<== default
+ offset_atom:=2.0pt; MCat(1, .5)(<30,?6,3:O)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.0pt",(0,1bp));
+ label.urt("0.8pt",(0.36w,1bp));
+ label.urt("2.0pt",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Offset of wedge width}
\index{offset\_wedge}%
@@ -819,7 +1652,20 @@
\begin{verbatim}
default: offset_wedge=0.4pt
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:offset_wedge")
+ fsize:=(60mm,12mm);
+ offset_wedge:=0.0pt; MCat(0.1,0.5)(<30,?6,5:*/_)
+ offset_wedge:=0.4pt; MCat(0.55,0.5)(<30,?6,5:*/_) %<<== default
+ offset_wedge:=1.0pt; MCat(1, 0.5)(<30,?6,5:*/_)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.0pt",(0,1bp));
+ label.urt("0.4pt",(0.36w,1bp));
+ label.urt("1.0pt",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Max bond length}
\index{max\_blength}%
@@ -826,7 +1672,21 @@
\begin{verbatim}
default: max_blength=10mm
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:max_blength")
+ fsize:=(60mm,20mm);
+ sw_frame:=sw_frame+Mol;
+ max_blength:=5mm; MCat(0, .5)(<30,Ph)
+ max_blength:=8mm; MCat(.4,.5)(<30,Ph)
+ max_blength:=10mm; MCat(1, .5)(<30,Ph) %<<== default
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label("5mm", (0.1w,0.5h));
+ label("8mm", (0.42w,0.5h));
+ label("10mm",(0.82w,0.5h));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Ratio parameter}
%-----------------------------------------------------------------------------
@@ -835,7 +1695,20 @@
\begin{verbatim}
default: ratio_thickness_bond=0.015
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ratio_thickness_bond")
+ fsize:=(60mm,12mm);
+ ratio_thickness_bond:=0.005; MCat(0.1,0.5)(<30,Ph)
+ ratio_thickness_bond:=0.015; MCat(.55,0.5)(<30,Ph) %<<== default
+ ratio_thickness_bond:=0.03; MCat(1, 0.5)(<30,Ph)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.005",(0,1bp));
+ label.urt("0.015",(0.36w,1bp));
+ label.urt("0.030",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Char/bond thickness}
\index{ratio\_char\_bond}%
@@ -842,7 +1715,20 @@
\begin{verbatim}
default: ratio_char_bond=1.5
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ratio_char_bond")
+ fsize:=(60mm,12mm);
+ ratio_char_bond:=1.0; MCat(0, .5)(<30,?6,6:O,3:NH)
+ ratio_char_bond:=1.5; MCat(.5, .5)(<30,?6,6:O,3:NH) %<<== default
+ ratio_char_bond:=2.0; MCat( 1, .5)(<30,?6,6:O,3:NH)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("1.0",(0,1bp));
+ label.urt("1.5",(0.36w,1bp));
+ label.urt("2.0",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Bond gap/bond length}
\index{ratio\_bondgap\_bond}%
@@ -849,7 +1735,20 @@
\begin{verbatim}
default: ratio_bondgap_bond= 0.15
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ratio_bondgap_bond")
+ fsize:=(60mm,12mm);
+ ratio_bondgap_bond:=0.10; MCat(0.1, .5)(<30,Ph)
+ ratio_bondgap_bond:=0.15; MCat(.55, .5)(<30,Ph) %<<== default
+ ratio_bondgap_bond:=0.20; MCat(1 , .5)(<30,Ph)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.10",(0,1bp));
+ label.urt("0.15",(0.36w,1bp));
+ label.urt("0.20",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Atom/bond length}
\index{ratio\_atom\_bond}%
@@ -856,7 +1755,20 @@
\begin{verbatim}
default: ratio_atom_bond= 0.36
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ratio_atom_bond")
+ fsize:=(60mm,12mm);
+ ratio_atom_bond:=0.25; MCat(0.1, .5)(<30,?6,3:O)
+ ratio_atom_bond:=0.33; MCat(.55, .5)(<30,?6,3:O) %<<== default
+ ratio_atom_bond:=0.45; MCat(1, .5)(<30,?6,3:O)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.25",(0,1bp));
+ label.urt("0.33",(0.36w,1bp));
+ label.urt("0.45",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Wedge/bond length}
\index{ratio\_wedge\_bond}%
@@ -863,7 +1775,20 @@
\begin{verbatim}
default: ratio_wedge_bond=0.12
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ratio_wedge_bond")
+ fsize:=(70mm,12mm);
+ ratio_wedge_bond:=0.1; MCat(0.05,.5)(?6,4:*/_)
+ ratio_wedge_bond:=0.12; MCat(.55, .5)(?6,4:*/_) %<<== default
+ ratio_wedge_bond:=0.2; MCat(1 , .5)(?6,4:*/_)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.10",(0,1bp));
+ label.urt("0.12",(0.36w,1bp));
+ label.urt("0.20",(0.7w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Figure atom gap/atom length}
\index{ratio\_atomgap\_atom}%
@@ -870,7 +1795,21 @@
\begin{verbatim}
default: ratio_atomgap_atom= 0.050
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ratio_atomgap_atom",":<30,!2`0.5,2:O")
+ fsize:=(70mm,12mm);
+ sw_frame:=sw_frame+Atom;
+ ratio_atomgap_atom:=0.00; MCat(0, .5)(scantokens(mc))
+ ratio_atomgap_atom:=0.050; MCat(.5,.5)(scantokens(mc)) %<<== default
+ ratio_atomgap_atom:=0.12; MCat(1, .5)(scantokens(mc))
+ ext(defaultscale:=0.75; labeloffset:=1bp;
+ label.urt("0.00",(0.05w,1bp));
+ label.urt("0.05",(0.45w,1bp));
+ label.urt("0.12",(0.85w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Chain/ring length}
\index{ratio\_chain\_ring}%
@@ -877,7 +1816,20 @@
\begin{verbatim}
default: ratio_chain_ring= 0.66
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ratio_chain_ring")
+ fsize:=(70mm,12mm);
+ ratio_chain_ring:= 0.4; MCat(0.05,.5)(<30,?6,4:/!)
+ ratio_chain_ring:= 0.66; MCat(.45, .5)(<30,?6,4:/!) %<<== default
+ ratio_chain_ring:= 1; MCat(1, .5)(<30,?6,4:/!)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.40",(0,1bp));
+ label.urt("0.66",(0.3w,1bp));
+ label.urt("1.0" ,(0.62w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Hash gap/bond length}
\index{ratio\_hashgap\_bond}%
@@ -884,7 +1836,20 @@
\begin{verbatim}
default: ratio_hashgap_bond=0.12
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:ratio_hashgap_bond",":<30,!2,2:/*_`1.5")
+ fsize:=(70mm,15mm);
+ ratio_hashgap_bond:=0.06; MCat(0.08,.5)(scantokens(mc))
+ ratio_hashgap_bond:=0.12; MCat( .55,.5)(scantokens(mc)) %<<== default
+ ratio_hashgap_bond:=0.20; MCat(1, .5)(scantokens(mc))
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.06",(0,1bp));
+ label.urt("0.12",(0.4w,1bp));
+ label.urt("0.20",(0.77w,1bp));
+ )
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
%%%%\newpage
%-----------------------------------------------------------------------------
@@ -904,7 +1869,15 @@
sw_numbering:=Atom;
MC(<-30,!9)
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch numbering atom")
+ fsize:=(60mm,10mm);
+ ratio_chain_ring:=1;
+ numbering_start:=3; numbering_end:=8;
+ sw_numbering:=Atom; MC(<-30,!9)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Numbering bond}
\index{numbering\_start}%
@@ -919,7 +1892,15 @@
sw_numbering:=Bond;
MC(<-30,!9)
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch numbering bond")
+ fsize:=(60mm,10mm);
+ ratio_chain_ring:=1;
+ numbering_start:=3; numbering_end:=8;
+ sw_numbering:=Bond; MC(<-30,!9)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Trimming mode}
\index{sw\_trimming}%
@@ -929,13 +1910,32 @@
MCat(0.2,0.3)(Ph)
MCat(0.8,0.7)(Ph)
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch trimming")
+ fsize:=(60mm,20mm);
+ sw_frame:=Bothside+Mol;
+ msize:=(1,.7); MCat(.2,.3)(Ph)
+ MCat(.8,.7)(Ph)
+endfigm
+\end{mplibcode}
+%------------------------------------------------------
\begin{verbatim}
sw_trimming:=1;
MCat(0.2,0.3)(Ph)
MCat(0.8,0.7)(Ph)
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch trimming")
+ fsize:=(60mm,20mm);
+ sw_frame:=Bothside+Mol;
+ sw_trimming:=1;
+ msize:=(1,.7);
+ MCat(.2,.3)(Ph)
+ MCat(.8,.7)(Ph)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Expand mode}
\index{sw\_expand}%
@@ -945,7 +1945,15 @@
MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
** default: sw_expand=0
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch Expand",":<30,Ph,4:/COOH,3:/NH2")
+ fsize:=(60mm,20mm);
+ MCat(0, .5)(scantokens(mc))
+ sw_expand:=1;
+ MCat(1, .5)(scantokens(mc))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Abbreviate group}
\index{Group}%
@@ -953,7 +1961,15 @@
\begin{verbatim}
** default: sw_abbreviate=Group
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch abbreviate group",":<30,Ph,4:/Cl,3:/F")
+ fsize:=(60mm,12mm);
+ MCat(.15, .5)(scantokens(mc))
+ sw_abbreviate:=Group;
+ MCat(.85, .5)(scantokens(mc))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Abbreviate bond type}
\index{Bond}%
@@ -961,7 +1977,15 @@
\begin{verbatim}
** default: sw_abbreviate=Bond
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch abbreviate bondtype",":<30,Ph,4:/Cl,3:/F")
+ fsize:=(60mm,12mm);
+ MCat(.15, .5)(scantokens(mc))
+ sw_abbreviate:=Bond;
+ MCat(.85, .5)(scantokens(mc))
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Frame}
%-----------------------------------------------------------------------------
@@ -976,17 +2000,43 @@
fmargin:=(5mm,2mm);
sw_frame=Outside
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch font frame 1")
+ fsize:=(30mm,10mm);
+ fmargin:=(5mm,1.5mm);
+ sw_frame:=Outside;
+ MC(<30,Ph)
+endfigm
+\end{mplibcode}
+%------------------------------------------------------
\begin{verbatim}
(Frame inside margin)
sw_frame=Inside
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch font frame 2")
+ fsize:=(30mm,10mm);
+ fmargin:=(5mm,1.5mm);
+ sw_frame:=Inside;
+ MC(<30,Ph)
+endfigm
+\end{mplibcode}
+%------------------------------------------------------
\begin{verbatim}
(Draw both frame)
sw_frame=Bothside=Inside+Outside
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch font frame 3")
+ fsize:=(30mm,10mm);
+ fmargin:=(5mm,1.5mm);
+ sw_frame:=Bothside;
+ MC(<30,Ph)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Molecular frame}
\index{Mol}%
@@ -994,7 +2044,16 @@
sw_frame=Mol
** default:sw_frame=0
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch molecular frame")
+ sw_frame:=Outside;
+ fsize:=(40mm,11mm);
+ msize:=(1,1);
+ sw_frame:=sw_frame+Mol;
+ MC(<30,Ph)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Atom frame}
\index{Atom}%
@@ -1004,7 +2063,14 @@
MC(<30,COOH,!,COOH)
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Switwch atom frame")
+ fsize:=(60mm,10mm);
+ sw_frame:=sw_frame+Atom;
+ MC(<30,COOH,!,COOH)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Parameter setting}
\subsubsection{Local parameter setting}
@@ -1024,7 +2090,21 @@
MC(Ph)
endfigm
\end{verbatim}
-\MCFgraph\MCFgraph\MCFgraph
+%------------------------------------------------------
+\quad
+\begin{mplibcode}
+fsize:=(15mm,12mm);
+beginfigm("EN:Local setting 1")
+ MC(Ph)
+endfigm
+beginfigm("EN:Local setting 2")
+ ratio_thickness_bond:=0.05;
+ MC(Ph)
+endfigm
+beginfigm("EN:Local setting 3")
+ MC(Ph)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Global parameter setting}
\begin{verbatim}
@@ -1041,7 +2121,23 @@
MC(Ph)
endfigm
\end{verbatim}
-\MCFgraph\MCFgraph\MCFgraph
+%----------------------------------------------------
+\quad
+\begin{mplibcode}
+save_ratio:=ratio_thickness_bond;
+fsize:=(15mm,12mm);
+beginfigm("EN:Global setting 1")
+ MC(Ph)
+endfigm
+ratio_thickness_bond:=0.05;
+beginfigm("EN:Global setting 2")
+ MC(Ph)
+endfigm
+beginfigm("EN:Global setting 3")
+ MC(Ph)
+endfigm
+ratio_thickness_bond:=save_ratio;
+\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\section{Function}
%-----------------------------------------------------------------------------
@@ -1062,7 +2158,15 @@
MC(<30,Ph,3:/F,4:/Cl)
endfigm
\end{verbatim}
-\MCFgraph
+%------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:MC() ")
+ fmargin:=(0.5mm,0.5mm);
+ fsize:=(40mm,15mm);
+ sw_frame:=Outside+Mol;
+ MC(<30,Ph,4:/Cl,3:/F)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Function MCat()}
\index{MCat()}%
@@ -1092,7 +2196,27 @@
endfor
\end{verbatim}
-\MCFgraph
+%---------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:MCat()")
+ defaultscale:=0.6;
+ fsize:=(60mm,40mm);
+ fmargin:=(3mm,3mm);
+ blength:=0.07;
+ sw_frame:=Outside;
+ mangle:=0;
+ for i=1 step -0.5 until 0:
+ for j=0 step 0.33 until 1:
+ MCat(j,i)(Ph,4:N)
+ add(
+ drawarrow((A1+A1up**aw)..A1);
+ label(decimal(mangle),p0+(0.5w,0.5h));
+ )
+ mangle:=mangle+30;
+ endfor
+ endfor
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Function mc\_check()}
\index{mc\_check()}%
@@ -1113,7 +2237,21 @@
endfigm
\end{verbatim}
-\MCFgraph\hspace{22mm}\MCFgraph
+%-----------------------------------------------------
+\quad
+\begin{mplibcode}
+beginfigm("EN:Pyridine",":<30,Ph,2:N")
+ sw_trimming:=0;
+ fsize:=(12mm,12mm);
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+beginfigm("EN:Pyridine",":<30,Ph,2):N")
+ sw_trimming:=0;
+ fsize:=(12mm,12mm);
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
+%-----------------------------------------------------
\begin{verbatim}
mc_check(mc)=0 mc_check(mc)>=1
\end{verbatim}
@@ -1200,7 +2338,7 @@
beginfigm("EN:add() 1")
fsize:=(70mm,40mm);
- sw_frame:=Bothside;
+ sw_frame:=sw_frame+Atom+Mol;
max_blength:=10mm;
msize:=(.91,.9);
MCat(.5,.85)(<30,?6,{2,5}:O)
@@ -1223,13 +2361,46 @@
" em="&decimal(em),
p0+(-9em,-1.5em));
label.rt( "w="&decimal(w)&
- " h="&decimal(h)&
- " l="&decimal(l),
+ " h="&substring (0,6)of decimal(h)&
+ " l="&substring (0,6)of decimal(l),
p0+(-9em,-3em));
)
endfigm
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:add() 1")
+ fsize:=(70mm,40mm);
+ sw_frame:=sw_frame+Atom+Mol;
+ max_blength:=10mm;
+ msize:=(.91,.9);
+ MCat(.5,.85)(<30,?6,{2,5}:O)
+ add(
+ defaultscale:=.8;
+ labeloffset:=.3aw;
+ dotlabel.lft("p0",p0);
+ dotlabel.rt( "p0+(w,h)",p0+(w,h));
+ dotlabel.ulft("A1",A1);
+ drawarrow A1..A1+__*l<<A1ang;
+ dotlabel.lrt( "B3s",B3s);
+ dotlabel.rt("B3m",B3m);
+ drawarrow B3m..B3m+__*l<<(B3ang+90);
+ dotlabel.ulft("A6",A6);
+ drawarrow A1{A1down}..A6;
+ dotlabel.urt( "B3e",B3e);
+ label.rt( "An="&decimal(An)&
+ " Bn="&decimal(Bn)&
+ " aw="&decimal(aw)&
+ " em="&decimal(em),
+ p0+(-9em,-1.5em));
+ label.rt( "w="&substring (0,6)of decimal(w)&
+ " h="&substring (0,6)of decimal(h)&
+ " l="&substring (0,6)of decimal(l),
+ p0+(-9em,-3em));
+ )
+endfigm
+\end{mplibcode}
+%------------------------------------------------------------------------------
\begin{verbatim}
beginfigm("EN:add() 2")
fsize:=(60mm,20mm);
@@ -1260,7 +2431,30 @@
%---------------------------------------
endfigm
\end{verbatim}
-\MCFgraph
+%-------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:add() 2")
+ fsize:=(70mm,20mm);
+ msize:=(1,0.85);
+ %-------------------------------------------
+ MCat(0,0)(<30,Ph,3=dl,4:/NH2)
+ %-------------------------------------------
+ add(labeloffset:=.7aw;
+ label.top(lonepair 90,A7);
+ drawarrow (A7+up**1.2aw){A7left}..{B7right}B7/*0.3;
+ drawarrow B3m..A3+B2up**1.5aw..{A3down}A3;
+ )
+ %-------------------------------------------
+ MCat(1,0)(<30,?6,{1,5}=dl,4://NH2)
+ %-------------------------------------------
+ add(labeloffset:=.7aw;
+ label.top(plus,A7);
+ label.urt(minus,A3);
+ label(lonepair A3ang,A3+A3up**.7aw);
+ )
+ ext(drawdblarrow (0.4w,0.4h)..(0.55w,0.4h);)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\newpage
\subsection{Function ext()}
@@ -1299,15 +2493,15 @@
<-210,60`1,60`1,60`1,{1,3}=dl,
1:/R1,4:/R2^-60
)
- add(
+ add(
defaultscale:=0.6;
label.bot("Diene",p0+(0.5w,0));
- )
+ )
MCat(0.4,0.5)(
<-30,-60`1,1=dl,1:/R3,2:/R4^60)
add(defaultscale:=0.6;
label.bot("Dienophile",p0+(.5w,0));
- )
+ )
MCat(0.9,0.5)(
<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1
)
@@ -1323,7 +2517,40 @@
%---------------------------------------
endfigm
\end{verbatim}
-\MCFgraph
+%------------------------------------------------------------------------------
+\begin{mplibcode}
+beginfigm()
+ fsize:=(70mm,30mm);
+ blength:=0.065;
+ %---------------------------------------
+ MCat(0.1,0.5)(
+ <-210,60`1,60`1,60`1,{1,3}=dl,
+ 1:/R1,4:/R2^-60
+ )
+ add(
+ defaultscale:=0.6;
+ label.bot("Diene",p0+(0.5w,0));
+ )
+ MCat(0.4,0.5)(
+ <-30,-60`1,1=dl,1:/R3,2:/R4^60)
+ add(defaultscale:=0.6;
+ label.bot("Dienophile",p0+(.5w,0));
+ )
+ MCat(0.9,0.5)(
+ <30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1
+ )
+ %---------------------------------------
+ ext(
+ drawarrow (.52w,.5h)..(.6w,.5h);
+ defaultscale:=0.7;
+ label("+",(0.25w,0.5h));
+ ratio_thickness_char:=0.125;
+ label.bot("Diels-Alder Reaction",
+ (.5w,h));
+ )
+ %---------------------------------------
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Local ext() setting}
\begin{verbatim}
@@ -1347,7 +2574,30 @@
MCat(0.5,1)(?6)
endfigm
\end{verbatim}
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph
+%----------------------------------------------------
+\quad
+\begin{mplibcode}
+beginfigm("EN:?3")
+ fsize:=(12mm,15mm);
+ MCat(0.5,1)(<30,?3)
+endfigm
+beginfigm("EN:?4")
+ fsize:=(12mm,15mm);
+ MCat(0.5,1)(?4)
+ %-------------------------------
+ ext(label.top(inf_EN,(0.5w,0));)
+ %-------------------------------
+endfigm
+beginfigm("EN:?5")
+ fsize:=(12mm,15mm);
+ MCat(0.5,1)(?5)
+endfigm
+beginfigm("EN:?5")
+ fsize:=(12mm,15mm);
+ MCat(0.5,1)(?6)
+endfigm
+\end{mplibcode}
+%-----------------------------------------------------------------------------
\subsubsection{Global ext() setting}
\index{ext\_clear}%
\begin{verbatim}
@@ -1376,10 +2626,36 @@
MCat(0.5,1)(?6)
endfigm
\end{verbatim}
-\MCFgraph\MCFgraph\MCFgraph\MCFgraph
+%-------------------------------------
+\quad
+\begin{mplibcode}
+beginfigm("EN:?3")
+ fsize:=(12mm,15mm);
+ MCat(0.5,1)(<30,?3)
+endfigm
+%-------------------------------
+ext(label.top(inf_EN,(0.5w,0));)
+%-------------------------------
+beginfigm("EN:?4")
+ fsize:=(12mm,15mm);
+ MCat(0.5,1)(?4)
+endfigm
+beginfigm("EN:?5")
+ fsize:=(12mm,15mm);
+ MCat(0.5,1)(?5)
+endfigm
+%---------
+ext_clear;
+%---------
+beginfigm("EN:?6")
+ fsize:=(12mm,15mm);
+ MCat(0.5,1)(?6)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\newpage
%-----------------------------------------------------------------------------
+\onecolumn
\section{MCF example}
%-----------------------------------------------------------------------------
\subsection{Luciferin}
@@ -1392,7 +2668,13 @@
if mc_check(mc)=0: MC(scantokens(mc)) fi
endfigm
\end{verbatim}
-\MCFgraph
+%-------------------------------------------
+\begin{mplibcode}
+beginfigm("t:EN","v:Luciferin")
+ fsize:=(50mm,15mm);
+ if mc_check(mc)=0: MC(scantokens(mc)) fi
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Colchicine}
\begin{verbatim}
@@ -1406,29 +2688,18 @@
if mc_check(mc)=0: MC(scantokens(mc)) fi
endfigm
\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
-\subsection{Paclitaxel}
-\begin{verbatim}
-beginfigm("EN:Paclitaxel","MW:853.91",
- %------------------------------------
- ": ?6,5=dl, at 3,#1,36,45,45,45,45,##, ",
- ": &5", ",
- ": -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, ",
- ": 4:??,6:/_,{3^-60,15}:*/OH, ",
- ": 8:/*H^-60,", ",
- ": 9:*/_^60,10://O, ",
- ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf, ",
- ": NH,-60,//O,60,Ph, ",
- ": @7,\*,O,-45,//O,60,Ph, ",
- ": @11,*\,O,-60,//O,60, ",
- ": @12,\*^-15,O,60,//O,-60 ")
- %------------------------------------
- fsize:=(50mm,25mm);
+%---------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Colchicine","MW:385.41",
+ %-------------------------------------
+ ": <30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
+ ": {-1,-4,-6}=dl,-2://O,-3:/O!, ",
+ ": @9,\,NH,!,//O,! ")
+ %-------------------------------------
+ fsize:=(50mm,20mm);
if mc_check(mc)=0: MC(scantokens(mc)) fi
endfigm
-\end{verbatim}
-\MCFgraph
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsection{Maltose}
\index{arc\_lb}
@@ -1439,50 +2710,323 @@
arc_br : arc bottom right
beginfigm("EN:Maltose","MW:342.3",
- %-----------------------------------------
- ": #1.25,-30~wf_r,30~bd_r`1,30~wb_r, ",
- ": 120,O,30,&1,##, ",
- ": #.5,{1^$-90,2^$90,3^$-90}:/OH, ",
- ": 6^$90:/!OH, ",
- ": @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, ",
- ": |,#1.25,-30~wf_r,30~bd_r`1,30~wb_r, ",
- ": 120,O,30,&1,##, ",
- ": #.5,{2^$90,3^$-90,4^$-90}:/OH, ",
- ": 6^$90:/!OH ")
- %-----------------------------------------
+ %-------------------------------------------------------
+ ": #1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
+ ": #.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
+ ": @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, ",
+ ": |,#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
+ ": #.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ")
+ %-------------------------------------------------------
fsize:=(50mm,20mm);
if mc_check(mc)=0: MC(scantokens(mc)) fi
endfigm
\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
-\subsection{Cellobiose}
-\index{arc\_lbr}
-\index{arc\_ltr}
-\begin{verbatim}
-(bond type for glycan)
-arc_lbr : arc left > bottom > right
-arc_ltr : arc left > top > right
-
-beginfigm("EN:Cellobiose","MW:342.3",
- %-----------------------------------------
- ": #1.25,-30~wf_r,30~bd_r`1,30~wb_r, ",
- ": 120,O,30,&1,##, ",
- ": #.5,{1^$-90,2^$90,3^$-90}:/OH, ",
- ": 6^$90:/!OH, ",
- ": @4,$0~arc_ltr,O,$0~arc_lbr, ",
- ": |,#1.25,-30~wf_r,30~bd_r`1,30~wb_r, ",
- ": 120,O,30,&1,##, ",
- ": #.5,{2^$90,3^$-90,4^$-90}:/OH, ",
- ": 6^$90:/!OH ")
- %-----------------------------------------
+%-------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Maltose","MW:342.3",
+ %-------------------------------------------------------
+ ": #1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
+ ": #.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
+ ": @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, ",
+ ": |,#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
+ ": #.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ")
+ %-------------------------------------------------------
fsize:=(50mm,20mm);
if mc_check(mc)=0: MC(scantokens(mc)) fi
endfigm
+\end{mplibcode}
+%-----------------------------------------------------------------------------
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\newpage
+\subsection{Erythromycin}
+\noindent%
+%----------------------------------------------------------------------------
+\begin{verbatim}
+beginfigm("EN:Erythromycin","MW:733.93")
+ fsize:=(120mm,30mm);
+ MC(<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1,
+ 14:O,13:/*Et,{1,9}://O,
+ {2',4,6^-35,8,10',12^35}:/*_,
+ {6^35,11,12^-35}:*/OH,
+ @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
+ @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!
+ )
+ ext(defaultscale:=0.8;
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));
+ )
+endfigm;
\end{verbatim}
-\MCFgraph
+%----------------------------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Erythromycin","MW:733.93")
+ fsize:=(120mm,30mm);
+ MC(<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1,
+ 14:O,13:/*Et,{1,9}://O,
+ {2',4,6^-35,8,10',12^35}:/*_,
+ {6^35,11,12^-35}:*/OH,
+ @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
+ @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!)
+ ext(defaultscale:=0.8;
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));)
+endfigm;
+\end{mplibcode}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\subsection{Paclitaxel}
+\noindent%
+\begin{verbatim}
+beginfigm("EN:Paclitaxel","MW:853.918",
+ %---------------------------------------------------------------------
+ ": ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
+ ": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, ",
+ ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
+ ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
+ %---------------------------------------------------------------------
+ fsize:=(140mm,30mm);
+ if mc_check(mc)=0:
+ MCat(0,0.5)(scantokens(mc))
+ sw_numbering:=Atom;
+ MCat(0.6,0.5)(scantokens(mc))
+ sw_numbering:=Bond;
+ MCat(1,0.5)(scantokens(mc))
+ fi
+endfigm
+\end{verbatim}
+%----------------------------------------------------------------------------
+\begin{mplibcode}
+beginfigm("EN:Paclitaxel","MW:853.918",
+ %---------------------------------------------------------------------
+ ": ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
+ ": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, ",
+ ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
+ ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
+ %---------------------------------------------------------------------
+ fsize:=(160mm,40mm);
+ if mc_check(mc)=0: MCat(0,0.5)(scantokens(mc))
+ sw_numbering:=Atom; MCat(0.5,0.5)(scantokens(mc))
+ sw_numbering:=Bond; MCat(1,0.5)(scantokens(mc))
+ fi
+endfigm
+\end{mplibcode}
+%----------------------------------------------------------------------------
+\newpage
+\subsection{Chlorophyll a}
+\noindent%
+\begin{verbatim}
+beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-",
+ "= sw_output:=Fig+Calc+Mcode;",
+ "= fsize:=(100mm,30mm);")
+ if op_row>=1: scantokens(op) fi
+ if mc_check(mc)=0:
+ MC(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+ VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ fi
+endfigm
+\end{mplibcode}
+\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
+\end{verbatim}
+%------------------------------------------------------------------------------------
+\begin{mplibcode}
+beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-",
+ "= sw_output:=Fig+Calc+Mcode;",
+ "= fsize:=(100mm,30mm);")
+ if op_row>=1: scantokens(op) fi
+ if mc_check(mc)=0:
+ MC(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+ VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ fi
+endfigm
+\end{mplibcode}
+\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\subsection{Dinophysistoxin-1}
+\noindent%
+\begin{verbatim}
+beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
+ "MW:819",":,38:*/_,65=red") %%%% add methyl group (color red) %%%%
+ sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
+ fsize:=(120mm,20mm);
+ if mc_check(mc)=0: MC(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+ VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ fi
+endfigm;
+\end{mplibcode}
+\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
+\end{verbatim}
+%----------------------------------------------------------------------------
+\begin{mplibcode}
+beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
+ "MW:819",":,38:*/_,65=red") %%%% add methyl group (color red) %%%%
+ sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
+ fsize:=(120mm,20mm);
+ if mc_check(mc)=0: MC(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+ VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ fi
+endfigm;
+\end{mplibcode}
+\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\newpage
+%----------------------------------------------------------------------------
+\subsection{Maitotoxin}
+\noindent%
+%--------------------------------------------------------------------------------
+\begin{verbatim}
+%--------------------------------------------------------------------------------
+\begin{mplibcode}
+ beginfigm("t:EN","v:Maitotoxin")
+ sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
+ fsize:=(150mm,80mm);
+ fmargin:=(3mm,3mm);
+ sw_frame:=Outside;
+ if mc_check(mc)=0: MC(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+ VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ fi
+ endfigm
+\end{mplibcode}
+\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
+%--------------------------------------------------------------------------------
+\end{verbatim}
+%--------------------------------------------------------------------------------
+\begin{mplibcode}
+ beginfigm("t:EN","v:Maitotoxin")
+ sw_output:=Fig+Calc+Mcode;
+ fsize:=(150mm,80mm); fmargin:=(3mm,3mm); sw_frame:=Outside; %% mc_length:=40;
+ if mc_check(mc)=0: MC(scantokens(mc))
+ VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+ VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+ fi
+ endfigm
+\end{mplibcode}
+\verbatiminput{temp-mc.aux}
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
+%--------------------------------------------------------------------------------
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\newpage
+\subsection{TCA cycle}
+\noindent%
+\begin{mplibcode}
+beginfigm("EN:TCA cycle")
+fsize:=(160mm,75mm);
+max_blength:=5mm;
+%--------------------------------------------------------------------------------
+COOH:='(//O,!,OH);
+HOCO:='(OH,!,//O,);
+MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
+MCat(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
+MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH) % cis-Aconitate
+MCat(1, 0.58)(<30,HOCO,!4,COOH, at -4,\`1,COOH,5:/OH) % Isocitrate
+MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH) % Oxalosuccinate
+MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
+MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
+MCat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
+MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
+MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
+%--------------------------------------------------------------------------------
+ext(
+defaultfont:="uhvr8r";
+defaultscale:=0.75;
+ext_setup;
+def sel_dir(expr rot)=
+ save tx; nA:=rot; if nA>=360: nA:=nA-360; fi
+ if (nA<30)or(nA>330): def tx=top enddef; elseif (nA>=30)and(nA<=150): def tx=lft enddef;
+ elseif (nA>150)and(nA<210): def tx=bot enddef; elseif (nA>=210)and(nA<=330): def tx=rt enddef; fi
+enddef;
+def reaction_arrow(expr a)(expr r)(expr p)(expr sa,la)(expr sb,lb)(expr sc,lc)(expr sd,ld)=
+ drawarrow ((0,0)..(a,0)) rotated r shifted p;
+ if sa<>"": draw ((0.5a,0){dir 180}..{dir 90}(0,.5a*la)) rotated r shifted p;
+ sel_dir(r); label.tx(sa,p+((0,0.5a*la) rotated r)); fi
+ if sb<>"": draw ((0.5a,0){dir 0}..{dir 90}(a,.5a*lb)) rotated r shifted p;
+ sel_dir(r); label.tx(sb,p+((a,0.5a*lb) rotated r)); fi
+ if sc<>"": draw ((0.5a,0){dir 180}..{dir -90}(0,-.5a*lc)) rotated r shifted p;
+ sel_dir(r+180); label.tx(sc,p+((0,-0.5a*lc) rotated r)); fi
+ if sd<>"": draw ((0.5a,0){dir 0}..{dir -90}(a,-.5a*ld)) rotated r shifted p;
+ sel_dir(r+180); label.tx(sd,p+((a,-0.5a*ld) rotated r)); fi
+enddef;
+def r_arrow(expr a)(expr r)(expr p)(expr sc,lc)(expr sd,ld)=
+ reaction_arrow(a)(r)(p)("",0)("",0)(sc,lc)(sd,ld)
+enddef;
%------------------------------------------------------------------------
-\onecolumn
+save dx; pair dx; dx:=(12mm,0);
+label.bot("Oxaloacetate",p1+dx); label.bot("Citrate",p2+dx);
+label.bot("cis-Aconitate",p3+dx); label.bot("Isocitrate",p4+dx);
+label.bot("Oxalosuccinate",p5+dx); label.bot("alfa-Ketoglutarate",p6+dx);
+label.bot("Succinyl-CoA",p7+dx); label.bot("Succinate",p8+dx);
+label.bot("Fumarate",p9+dx); label.bot("L-Malate",p10+dx);
+sw_label_emu:=1;
+ext_setup;
+r_arrow(10mm)( 0)(p1+ ( 1.1w1, 0.3h1))("Acetyl-CoA",1.5)(" CoA-SH",1);
+r_arrow(10mm)( 0)(p2+ ( 1.1w2, 0.4h2))("",0)("H2O",1);
+r_arrow( 8mm)(270)(p3+ ( 0.5w3,-0.4h3))("H2O",1)("",0);
+r_arrow( 8mm)(270)(p4+ ( 0.5w4,-0.4h4))("NAD+",1)("NADH2+",1);
+r_arrow(10mm)(180)(p5+ (-0.1w5, 0.4h5))("",0)("CO2",1);
+r_arrow(10mm)(180)(p6+ (-0.1w6, 0.5h6))("NAD+,CoA-SH",1.7)("NADH2+,CO2",1);
+r_arrow(10mm)(180)(p7+ (-0.1w7, 0.5h7))("GDP,Pi",1.7)("GTP,CoA-SH",1);
+r_arrow( 8mm)( 90)(p8+ ( 0.4w8, 1.2h8))("FAD",1)("FADH2",1);
+r_arrow( 8mm)( 90)(p9+ ( 0.4w9, 1.2h9))("H2O",1)("",0);
+r_arrow(10mm)( 0)(p10+( 1.1w10,0.3h10))("NAD+",1)("NADH2+",1.5);
+defaultscale:=1.5;
+label("TCA-cycle",(0.5w,0.5h));
+)
+endfigm
+\end{mplibcode}
+%------------------------------------------------------------------------
+\begin{verbatim}
+beginfigmy"EN:TCA cycle")
+fsize:=(160mm,75mm);
+max_blength:=5mm;
+COOH:='(//O,!,OH); HOCO:='(OH,!,//O,);
+MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
+MCat(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
+MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH) % cis-Aconitate
+MCat(1, 0.58)(<30,HOCO,!4,COOH, at -4,\`1,COOH,5:/OH) % Isocitrate
+MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH) % Oxalosuccinate
+MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
+MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
+MCat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
+MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
+MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
+ext(
+defaultfont:="uhvr8r";
+defaultscale:=0.75;
+ext_setup;
+save dx; pair dx; dx:=(12mm,0);
+label.bot("Oxaloacetate",p1+dx); label.bot("Citrate",p2+dx);
+label.bot("cis-Aconitate",p3+dx); label.bot("Isocitrate",p4+dx);
+label.bot("Oxalosuccinate",p5+dx); label.bot("alfa-Ketoglutarate",p6+dx);
+label.bot("Succinyl-CoA",p7+dx); label.bot("Succinate",p8+dx);
+label.bot("Fumarate",p9+dx); label.bot("L-Malate",p10+dx);
+sw_label_emu:=1;
+ext_setup;
+r_arrow(10mm)( 0)(p1+ ( 1.1w1, 0.3h1))("Acetyl-CoA",1.5)(" CoA-SH",1);
+r_arrow(10mm)( 0)(p2+ ( 1.1w2, 0.4h2))("",0)("H2O",1);
+r_arrow( 8mm)(270)(p3+ ( 0.5w3,-0.4h3))("H2O",1)("",0);
+r_arrow( 8mm)(270)(p4+ ( 0.5w4,-0.4h4))("NAD+",1)("NADH2+",1);
+r_arrow(10mm)(180)(p5+ (-0.1w5, 0.4h5))("",0)("CO_2_",1);
+r_arrow(10mm)(180)(p6+ (-0.1w6, 0.5h6))("NAD+,CoA-SH",1.7)("NADH2+,CO2",1);
+r_arrow(10mm)(180)(p7+ (-0.1w7, 0.5h7))("GDP,Pi",1.7)("GTP,CoA-SH",1);
+r_arrow( 8mm)( 90)(p8+ ( 0.4w8, 1.2h8))("FAD",1)("FADH2",1);
+r_arrow( 8mm)( 90)(p9+ ( 0.4w9, 1.2h9))("H2O",1)("",0);
+r_arrow(10mm)( 0)(p10+( 1.1w10,0.3h10))("NAD+",1)("NADH2+",1.5);
+defaultscale:=1.5;
+label("TCA-cycle",(0.5w,0.5h));
+)
+endfigm
+\end{verbatim}
+%------------------------------------------------------------------------
\section{Example to use mcf2graph}
\subsection{MetaPost souce file}
\index{mcf2graph.mp}%
@@ -1869,7 +3413,7 @@
Weight Calc: 111.1019 / Input: 111.10 / weight gap= 0.00195
Fomula Calc: C4H5N3O / Input:
===========================================================================
-\end{verbatim}%
+\end{verbatim}
\newpage
%------------------------------------------------------------------------
\noindent%
@@ -1924,7 +3468,7 @@
9 14 1 0 0 0
M END
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\end{verbatim}%
+\end{verbatim}
%----------------------------------------------------------------------------
\newpage
\subsection{LuaTeX file example}
@@ -1989,7 +3533,7 @@
%--------------------------------------------------------------------
\end{mplibcode}\\
\end{document}
-\end{verbatim}%
+\end{verbatim}
%############################################################################
%------------------------------------------------------------------------
\texttt{\printindex}
Deleted: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
===================================================================
(Binary files differ)
Deleted: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2023-01-09 00:49:39 UTC (rev 65498)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2023-01-09 20:52:40 UTC (rev 65499)
@@ -1,328 +0,0 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2022.11.12
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mp must be version 4.90
-% ** use mcf_library.mcf
-\documentclass{article}
-%------------------------------------------------------------------------------
-\usepackage{luamplib}%
-\usepackage[T1]{fontenc}%
-\usepackage{textcomp,verbatim}%
-\mplibcodeinherit{enable}%
-\mplibverbatim{enable}%
-\mplibnumbersystem{double}%
-\mpliblegacybehavior{disabled}%
-\everymplib{%
- if unknown Ph1: input mcf2graph; fi
- outputformat:="eps";
- sw_output:=Fig+Calc;
- tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
- max_blength:=4.5mm;
- defaultsize:=8;
- defaultscale:=1;
-}%
-%------------------------------------------------------------------------------
-\pagestyle{empty}
-\topmargin=-20mm
-\oddsidemargin=0mm
-\textwidth=170mm
-\textheight=280mm
-\unitlength=1mm
-%------------------------------------------------------------------------------------
-\begin{document}
-\begin{center}
- {\Huge\sf MCF example for luamplib(Lua\LaTeX)}\vspace{5mm}\\
- Author : Akira Yamaji \quad Date : \today\\
- Located at : http://www.ctan.org/pkg/mcf2graph\vspace{2mm}\\
-\end{center}
-%------------------------------------------------------------------------------------
-\section{MCF example}
-\noindent%
-%------------------------------------------------------------------------------------
- use molecular library file 'mcf\_library.mcf' \\
-{{\tt FM(fm) :} molecular formula (calculated) \\
-{{\tt MW(mw) :} molecular weight (calculated)
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\subsection{Erythromycin}
-\noindent%
-%----------------------------------------------------------------------------
-( pass mcf to MC() )
-\begin{verbatim}
-beginfigm("EN:Erythromycin","MW:733.93")
- fsize:=(120mm,30mm);
- MC(<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1,
- 14:O,13:/*Et,{1,9}://O,{2',4,6^-35,8,10',12^35}:/*_,
- {6^35,11,12^-35}:*/OH,
- @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
- @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!)
- ext(defaultscale:=0.8; label.lrt("fm: "&cal_FM,(0,h-5mm));
- label.lrt("mw: "&cal_MW,(0,h-9mm)); label.lrt("MW: "&inf_MW,(0,h-13mm));)
-endfigm;
-\end{verbatim}
-%----------------------------------------------------------------------------
-\begin{mplibcode}
-beginfigm("EN:Erythromycin","MW:733.93")
- fsize:=(120mm,30mm);
- MC(<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1,
- 14:O,13:/*Et,{1,9}://O,{2',4,6^-35,8,10',12^35}:/*_,
- {6^35,11,12^-35}:*/OH,
- @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##,
- @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!)
- ext(defaultscale:=0.8; label.lrt("fm: "&cal_FM,(0,h-5mm));
- label.lrt("mw: "&cal_MW,(0,h-9mm)); label.lrt("MW: "&inf_MW,(0,h-13mm));)
-endfigm;
-\end{mplibcode}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\subsection{Paclitaxel}
-\noindent%
-( pass mcf to beginfigm() )
-\begin{verbatim}
-beginfigm("EN:Paclitaxel","MW:853.918",
- %---------------------------------------------------------------------
- ": ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
- ": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, ",
- ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
- ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
- %---------------------------------------------------------------------
- fsize:=(140mm,30mm);
- if mc_check(mc)=0: MCat(0,0.5)(scantokens(mc))
- sw_numbering:=Atom; MCat(0.6,0.5)(scantokens(mc))
- sw_numbering:=Bond; MCat(1,0.5)(scantokens(mc))
- fi
-endfigm
-\end{verbatim}
-%----------------------------------------------------------------------------
-\begin{mplibcode}
-beginfigm("EN:Paclitaxel","MW:853.918",
- %---------------------------------------------------------------------
- ": ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
- ": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, ",
- ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
- ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
- %---------------------------------------------------------------------
- fsize:=(140mm,30mm);
- if mc_check(mc)=0: MCat(0,0.5)(scantokens(mc))
- sw_numbering:=Atom; MCat(0.6,0.5)(scantokens(mc))
- sw_numbering:=Bond; MCat(1,0.5)(scantokens(mc))
- fi
-endfigm
-\end{mplibcode}
-%----------------------------------------------------------------------------
-\newpage
-\subsection{Chlorophyll a}
-\noindent%
-( read library file )
-\begin{verbatim}
-beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-",
- "= sw_output:=Fig+Calc+Mcode;",
- "= fsize:=(100mm,30mm);")
- if op_row>=1: scantokens(op) fi
- if mc_check(mc)=0:
- MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
- fi
-endfigm
-\end{mplibcode}
-\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
-{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
-\end{verbatim}
-%------------------------------------------------------------------------------------
-\begin{mplibcode}
-beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-",
- "= sw_output:=Fig+Calc+Mcode;",
- "= fsize:=(100mm,30mm);")
- if op_row>=1: scantokens(op) fi
- if mc_check(mc)=0:
- MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
- fi
-endfigm
-\end{mplibcode}
-\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
-{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\subsection{Dinophysistoxin-1}
-\noindent%
-( read library file + pass mcf to beginfigm() )
-\begin{verbatim}
-beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
- "MW:819",":,38:*/_,65=red") %%%% add methyl group (color red) %%%%
- sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
- fsize:=(120mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
- fi
-endfigm;
-\end{mplibcode}
-\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
-{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
-\end{verbatim}
-%----------------------------------------------------------------------------
-\begin{mplibcode}
-beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
- "MW:819",":,38:*/_,65=red") %%%% add methyl group (color red) %%%%
- sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
- fsize:=(120mm,20mm);
- if mc_check(mc)=0: MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
- fi
-endfigm;
-\end{mplibcode}
-\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
-{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\newpage
-%----------------------------------------------------------------------------
-\subsection{Maitotoxin}
-\noindent%
-( read library file )
-%--------------------------------------------------------------------------------
-\begin{verbatim}
-%--------------------------------------------------------------------------------
-\begin{mplibcode}
- beginfigm("t:EN","v:Maitotoxin")
- sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
- fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_frame:=Outside;
- if mc_check(mc)=0: MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
- fi
- endfigm
-\end{mplibcode}
-\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
-{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
-%--------------------------------------------------------------------------------
-\end{verbatim}
-%--------------------------------------------------------------------------------
-\begin{mplibcode}
- beginfigm("t:EN","v:Maitotoxin")
- sw_output:=Fig+Calc+Mcode;
- fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_frame:=Outside; %% mc_length:=40;
- if mc_check(mc)=0: MC(scantokens(mc))
- VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
- VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
- fi
- endfigm
-\end{mplibcode}
-\verbatiminput{temp-mc.aux}
-{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
-%--------------------------------------------------------------------------------
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\newpage
-\subsection{TCA cycle}
-\noindent%
-\begin{mplibcode}
-beginfigm("EN:TCA cycle")
-fsize:=(160mm,75mm);
-max_blength:=5mm;
-%--------------------------------------------------------------------------------
-COOH:='(//O,!,OH);
-HOCO:='(OH,!,//O,);
-MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
-MCat(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
-MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH) % cis-Aconitate
-MCat(1, 0.58)(<30,HOCO,!4,COOH, at -4,\`1,COOH,5:/OH) % Isocitrate
-MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH) % Oxalosuccinate
-MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
-MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
-MCat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
-MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
-MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
-%--------------------------------------------------------------------------------
-ext(
-defaultfont:="uhvr8r";
-defaultscale:=0.75;
-ext_setup;
-def sel_dir(expr rot)=
- save tx; nA:=rot; if nA>=360: nA:=nA-360; fi
- if (nA<30)or(nA>330): def tx=top enddef; elseif (nA>=30)and(nA<=150): def tx=lft enddef;
- elseif (nA>150)and(nA<210): def tx=bot enddef; elseif (nA>=210)and(nA<=330): def tx=rt enddef; fi
-enddef;
-def reaction_arrow(expr a)(expr r)(expr p)(expr sa,la)(expr sb,lb)(expr sc,lc)(expr sd,ld)=
- drawarrow ((0,0)..(a,0)) rotated r shifted p;
- if sa<>"": draw ((0.5a,0){dir 180}..{dir 90}(0,.5a*la)) rotated r shifted p;
- sel_dir(r); label.tx(sa,p+((0,0.5a*la) rotated r)); fi
- if sb<>"": draw ((0.5a,0){dir 0}..{dir 90}(a,.5a*lb)) rotated r shifted p;
- sel_dir(r); label.tx(sb,p+((a,0.5a*lb) rotated r)); fi
- if sc<>"": draw ((0.5a,0){dir 180}..{dir -90}(0,-.5a*lc)) rotated r shifted p;
- sel_dir(r+180); label.tx(sc,p+((0,-0.5a*lc) rotated r)); fi
- if sd<>"": draw ((0.5a,0){dir 0}..{dir -90}(a,-.5a*ld)) rotated r shifted p;
- sel_dir(r+180); label.tx(sd,p+((a,-0.5a*ld) rotated r)); fi
-enddef;
-def r_arrow(expr a)(expr r)(expr p)(expr sc,lc)(expr sd,ld)=
- reaction_arrow(a)(r)(p)("",0)("",0)(sc,lc)(sd,ld)
-enddef;
-%------------------------------------------------------------------------
-save dx; pair dx; dx:=(12mm,0);
-label.bot("Oxaloacetate",p1+dx); label.bot("Citrate",p2+dx);
-label.bot("cis-Aconitate",p3+dx); label.bot("Isocitrate",p4+dx);
-label.bot("Oxalosuccinate",p5+dx); label.bot("alfa-Ketoglutarate",p6+dx);
-label.bot("Succinyl-CoA",p7+dx); label.bot("Succinate",p8+dx);
-label.bot("Fumarate",p9+dx); label.bot("L-Malate",p10+dx);
-sw_label_emu:=1;
-ext_setup;
-r_arrow(10mm)( 0)(p1+ ( 1.1w1, 0.3h1))("Acetyl-CoA",1.5)(" CoA-SH",1);
-r_arrow(10mm)( 0)(p2+ ( 1.1w2, 0.4h2))("",0)("H2O",1);
-r_arrow( 8mm)(270)(p3+ ( 0.5w3,-0.4h3))("H2O",1)("",0);
-r_arrow( 8mm)(270)(p4+ ( 0.5w4,-0.4h4))("NAD+",1)("NADH2+",1);
-r_arrow(10mm)(180)(p5+ (-0.1w5, 0.4h5))("",0)("CO2",1);
-r_arrow(10mm)(180)(p6+ (-0.1w6, 0.5h6))("NAD+,CoA-SH",1.7)("NADH2+,CO2",1);
-r_arrow(10mm)(180)(p7+ (-0.1w7, 0.5h7))("GDP,Pi",1.7)("GTP,CoA-SH",1);
-r_arrow( 8mm)( 90)(p8+ ( 0.4w8, 1.2h8))("FAD",1)("FADH2",1);
-r_arrow( 8mm)( 90)(p9+ ( 0.4w9, 1.2h9))("H2O",1)("",0);
-r_arrow(10mm)( 0)(p10+( 1.1w10,0.3h10))("NAD+",1)("NADH2+",1.5);
-defaultscale:=1.5;
-label("TCA-cycle",(0.5w,0.5h));
-)
-endfigm
-\end{mplibcode}
-%------------------------------------------------------------------------
-\begin{verbatim}
-beginfigmy"EN:TCA cycle")
-fsize:=(160mm,75mm);
-max_blength:=5mm;
-COOH:='(//O,!,OH);
-HOCO:='(OH,!,//O,);
-MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
-MCat(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
-MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH) % cis-Aconitate
-MCat(1, 0.58)(<30,HOCO,!4,COOH, at -4,\`1,COOH,5:/OH) % Isocitrate
-MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH) % Oxalosuccinate
-MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
-MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
-MCat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
-MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
-MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
-ext(
-defaultfont:="uhvr8r";
-defaultscale:=0.75;
-ext_setup;
-save dx; pair dx; dx:=(12mm,0);
-label.bot("Oxaloacetate",p1+dx); label.bot("Citrate",p2+dx);
-label.bot("cis-Aconitate",p3+dx); label.bot("Isocitrate",p4+dx);
-label.bot("Oxalosuccinate",p5+dx); label.bot("alfa-Ketoglutarate",p6+dx);
-label.bot("Succinyl-CoA",p7+dx); label.bot("Succinate",p8+dx);
-label.bot("Fumarate",p9+dx); label.bot("L-Malate",p10+dx);
-sw_label_emu:=1;
-ext_setup;
-r_arrow(10mm)( 0)(p1+ ( 1.1w1, 0.3h1))("Acetyl-CoA",1.5)(" CoA-SH",1);
-r_arrow(10mm)( 0)(p2+ ( 1.1w2, 0.4h2))("",0)("H2O",1);
-r_arrow( 8mm)(270)(p3+ ( 0.5w3,-0.4h3))("H2O",1)("",0);
-r_arrow( 8mm)(270)(p4+ ( 0.5w4,-0.4h4))("NAD+",1)("NADH2+",1);
-r_arrow(10mm)(180)(p5+ (-0.1w5, 0.4h5))("",0)("CO_2_",1);
-r_arrow(10mm)(180)(p6+ (-0.1w6, 0.5h6))("NAD+,CoA-SH",1.7)("NADH2+,CO2",1);
-r_arrow(10mm)(180)(p7+ (-0.1w7, 0.5h7))("GDP,Pi",1.7)("GTP,CoA-SH",1);
-r_arrow( 8mm)( 90)(p8+ ( 0.4w8, 1.2h8))("FAD",1)("FADH2",1);
-r_arrow( 8mm)( 90)(p9+ ( 0.4w9, 1.2h9))("H2O",1)("",0);
-r_arrow(10mm)( 0)(p10+( 1.1w10,0.3h10))("NAD+",1)("NADH2+",1.5);
-defaultscale:=1.5;
-label("TCA-cycle",(0.5w,0.5h));
-)
-endfigm
-\end{verbatim}
-%----------------------------------------------------------------------------
-\end{document}
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