texlive[59086] Master/texmf-dist: mcf2graph (5may21)
commits+karl at tug.org
commits+karl at tug.org
Wed May 5 21:35:28 CEST 2021
Revision: 59086
http://tug.org/svn/texlive?view=revision&revision=59086
Author: karl
Date: 2021-05-05 21:35:28 +0200 (Wed, 05 May 2021)
Log Message:
-----------
mcf2graph (5may21)
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/mcf_data_base.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
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_man_soc.mf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,6 +1,13 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2021-04-18
+ Changelog of mcf2graph software package by Akira Yamaji 2021-05-05
*******************************************************************************
+[ver. 4.64 / 2021-05-05]
+ -add parameter for sw_output
+ Mcode : output MCF aux files
+ Mcode_t : output 'temp-mc.aux'
+ Info_t : output 'temp-info.aux'
+ -update MCF manual,example
+
[ver. 4.63 / 2021-04-18]
-add option parameter sw_output
sw_calc =1 => sw_output=None
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.63 2021-04-18
+ version : 4.64 2021-05-05
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -16,7 +16,7 @@
2. The distribution of software
( 1) README This file
- ( 2) CHANGELOG Changelog file of mcf2graph
+ ( 2) CHANGELOG Changelog file of mcf2graph
( 3) mcf2graph.mf Main macro of Metafont / Metapost
( 4) mcf_data_base.mcf Molecular data base file
( 5) mcf_setup.sty Style file for aux file input
@@ -25,7 +25,7 @@
use mps file for final print
make file 'mcf_man_soc-***.mps' before typeset
>mpost mcf_man_soc.mf
- ( 7) mcf_man_soc.mf Molecular difinition file for mcf_manual.tex
+ ( 7) mcf_man_soc.mf Molecular definition file for mcf_manual.tex
( 8) mcf_manual.pdf PDF of (4) (used pdftex(LaTeX),makeindex)
( 9) mcf_example.tex LaTeX example
make file 'mcf_exa_soc-info.aux' before typeset
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.04.18
+% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.05.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line '%' comment out
@@ -89,13 +89,13 @@
Cat:biological;EN:Thiamine;MW:300.81
+
<30,Ph,4:/NH2, at 3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
- @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15
+ @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15
+------------------------------------------------------------------------------
Cat:biological;EN:Gibberellin A3;MW:346.379
+
<18,?5,3=?7,5=?6[12], at 8,160`1.3,&3,13=dl,6=wf,8=wb,
- @5,40~zf`1,O,50,//O^180,&14~zb,
- 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60
+ @5,40~zf`1,O,50,//O^180,&14~zb,
+ 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60
+------------------------------------------------------------------------------
Cat:biological;EN:Cholesterol;MW:386.664
+
@@ -105,7 +105,7 @@
Cat:biological;EN:Riboflavin;MW:376.37
+
<30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
- @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH
+ @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH
+------------------------------------------------------------------------------
Cat:biological;EN:Resveratrol;MW:228.24
+
@@ -122,7 +122,7 @@
Cat:synthetic;EN:Kekulene;MW:600.7
+
<30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3], at -4,&6,
-{8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl
+ {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl
+------------------------------------------------------------------------------
Cat:synthetic;EN:18-Crown-6;MW:264.32
+
@@ -131,13 +131,13 @@
Cat:synthetic;EN:Porphyrin;MW:310.4
+
<9,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5,##,
-{1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH
+ {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH
+------------------------------------------------------------------------------
Cat:synthetic;EN:Sulflower;MW:448.69
+
<67.5,?8,{1,3,5,7}=?5, at 11,30`1.15,&12, at 14,30`1.15,&15,
- at 17,30`1.15,&18, at 20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
-{10,13,16,19,21,22,23,24}:S
+ @17,30`1.15,&18, at 20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
+ {10,13,16,19,21,22,23,24}:S
+------------------------------------------------------------------------------
Cat:synthetic;EN:Arsphenamine x5;MW:915.2
+
@@ -178,7 +178,7 @@
Cat:pesticide;EN:Endrin;MW:380.91
+
<30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
- @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
+ @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Acrinathrin;MW:541.45
+
@@ -192,7 +192,7 @@
Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19
+
<30,Ph,4:/F,6:/Cl, at 1,\,!,/Cl,!,//O,!,O,!2,
- @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
+ @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
+------------------------------------------------------------------------------
Cat:pesticide;EN:Carboxin;MW:235.301
+
@@ -258,7 +258,7 @@
Cat:pesticide;EN:Fipronil;MW:437.2
+
<30,Ph,{2,4}:/Cl,6:/CF3, at 3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,
- @-2,\,S,//O,!,CF3
+ @-2,\,S,//O,!,CF3
+------------------------------------------------------------------------------
Cat:pesticide;EN:Flumequine;MW:261.225
+
@@ -343,7 +343,7 @@
Cat:pesticide;EN:Endosulfan;MW:406.904
+
<26,?7,7=?6[13], at 11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O,
- {8,9,10,11,12^-210,12^-150}:/Cl
+ {8,9,10,11,12^-210,12^-150}:/Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Uniconazole-P;MW:291.779
+
@@ -417,13 +417,13 @@
Cat:antibiotics;EN:Cloxacillin;MW:435.8813
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, at -1,\^-24,Ph,-5:/Cl
+ @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, at -1,\^-24,Ph,-5:/Cl
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Dicloxacillin;MW:470.3264
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
- @-1,\^-24,Ph,{-1,-5}:/Cl
+ @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
+ @-1,\^-24,Ph,{-1,-5}:/Cl
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefalexin;MW:347.3889
+
@@ -433,60 +433,60 @@
Cat:antibiotics;EN:Cefalonium;MW:458.5107
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15, at 5,\*,//O,!,O,n_^40,
- @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
- @6,\,!,|,Ph,1:N,1:p_^180, at 4,\,//O,!,NH2
+ @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
+ @6,\,!,|,Ph,1:N,1:p_^180, at 4,\,//O,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefazorin;MW:454.51
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
- @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
+ @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
+ @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefquinome;MW:528.6
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15, at 5,\*,//O,!,O,n_^40,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
- @6,\,!,Ph,-2=?6,-10:N,-10:p_^180
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
+ @6,\,!,Ph,-2=?6,-10:N,-10:p_^180
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Ceftiofur;MW:523.5626
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
- @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
+ @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefuroxime;MW:424.3852
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O, at 6,\,!,O,!,//O,!,NH2
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O, at 6,\,!,O,!,//O,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Apramycin;MW:539.58
+
<30,?6,-4=?6,{2,10}:O, at 1,\*,O,60~zb,?6, at 9,\*,O,-60~zb,?6,-5:O,
- {7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt,
- -4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75
+ {7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt,
+ -4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Gentamycin;MW:477.596
+
<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\*,O,0~zb,?6,-5:O,{2,4}:*/NH2,20:/*NH2,6:*/OH,
- 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)
+ 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Kanamycin;MW:484.499
+
<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
- {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2
+ {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:DihydroStreptmycin;MW:583.574
+
<54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
- {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
- @17,*\^-18,NH,!,//NH,!,NH2, at 19,*\,NH,!,//NH,!,NH2
+ {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
+ @17,*\^-18,NH,!,//NH,!,NH2, at 19,*\,NH,!,//NH,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Fradiomycin;MW:614.644
+
<30,?6,3:O,2:/*!NH2,1:*/OH,6:/*OH,5:*/NH2,
- @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
- @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
- @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60
+ @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
+ @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
+ @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Streptmycin;MW:581.574
+
@@ -497,18 +497,18 @@
Cat:antibiotics;EN:Neospiramycin;MW:698.9
+
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt,
- @-6,\*,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
- @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH, at 8,\*,!,!!,O
+ {12,14}=dl,2:O,1:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt,
+ @-6,\*,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
+ @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH, at 8,\*,!,!!,O
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Emamectine;MW:886.133
+
<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60,
- @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
- {-1,-3,-7}=dl,(-11,-10)=?6[4], at -2,?6,-6=wf,-1=zb,-5=dl,
- {-1,-6}:O,-3:*/_, at -2,\,*/_,!2,
- 17:/_,19:/*_, at 18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!,
- @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!
+ @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
+ {-1,-3,-7}=dl,(-11,-10)=?6[4], at -2,?6,-6=wf,-1=zb,-5=dl,
+ {-1,-6}:O,-3:*/_, at -2,\,*/_,!2,
+ 17:/_,19:/*_, at 18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!,
+ @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Spinosad;MW:731.968
+
@@ -560,7 +560,7 @@
Cat:antibiotics;EN:Oxytetracyclin;MW:460.434
+
<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH,
-{5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+ {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Tetracyclin;MW:444.435
+
@@ -614,12 +614,12 @@
Cat:biological;EN:Cromolyn;MW:468.37
+
<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
-@$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH
+ @$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH
+------------------------------------------------------------------------------
Cat:biological;EN:Emetine;MW:480.649
+
<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,
- at -3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!
+ @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!
+------------------------------------------------------------------------------
Cat:biological;EN:Acronycine;MW:321.376
+
@@ -636,12 +636,12 @@
Cat:biological;EN:Mitomycine C;MW:334.332
+
<30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N,
-6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,@$9,\,!,O,60,//O,!,NH2
+ 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,@$9,\,!,O,60,//O,!,NH2
+------------------------------------------------------------------------------
Cat:biological;EN:Podophyllotoxin;MW:414.41
+
<0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,
- at 10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H
+ @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H
+------------------------------------------------------------------------------
Cat:biological;EN:Warfarin;MW:308.333
+
@@ -658,17 +658,17 @@
Cat:biological;EN:Reserpine;MW:608.688
+
<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,{15^-60,16^60}:/*H,
- at 20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr
+ @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr
+------------------------------------------------------------------------------
Cat:biological;EN:Rotenone;MW:394.423
+
<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr,
-{2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!, at 1,*\,/_,!!
+ {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!, at 1,*\,/_,!!
+------------------------------------------------------------------------------
Cat:biological;EN:Pyrethrin I;MW:328.452
+
<30,?3,{3^35~wf,3^-35~zf}:/_, at 1,*\,!!,?!,
- at 2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O, at -2,\,!4,{-1,-3}=dl
+ @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O, at -2,\,!4,{-1,-3}=dl
+------------------------------------------------------------------------------
Cat:biological;EN:Oseltamivir;MW:312.40
+
@@ -677,14 +677,14 @@
Cat:biological;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,
- at 1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
- at 7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr
+ 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
+------------------------------------------------------------------------------
Cat:biological;EN:Mevastatin;MW:390.52
+
<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,
- at 10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH, at 5,\*,O,60,//O,!,*/_,!2
+ @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH, at 5,\*,O,60,//O,!,*/_,!2
+------------------------------------------------------------------------------
Cat:biological;EN:Sesamine;MW:354.35
+
@@ -698,7 +698,7 @@
Cat:biological;EN:Quinine;MW:324.424
+
<30,Ph,3=Ph,7:N,6:/O!,
- at 10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60, at 4,*\,!!, at 2,165~zf,60,&5~zb
+ @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60, at 4,*\,!!, at 2,165~zf,60,&5~zb
+------------------------------------------------------------------------------
Cat:biological;EN:Atoropin;MW:289.375
+
@@ -711,7 +711,7 @@
Cat:biological;EN:Lycorine;MW:287.315
+
<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O,
-9:/*H^180,10:*/H^60,13:*/OH,14:/*OH
+ 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH
+------------------------------------------------------------------------------
Cat:biological;EN:Ibotenic acid;MW:158.113
+
@@ -733,8 +733,8 @@
Cat:biological;EN:Tetrodotoxine;MW:319.27
+
#1,<60,-90,60,-30`1.15,150,60,&1, at 3,-135,60,-30`1.15,150,&4,
- at 10,\,O,60`1.33,60,&($3)~si_, at 8,-15~si_,O,&12,##,
- at 9,45,-60,OH,1^120://NH,{5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH
+ @10,\,O,60`1.33,60,&($3)~si_, at 8,-15~si_,O,&12,##,
+ @9,45,-60,OH,1^120://NH,{5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH
+------------------------------------------------------------------------------
Cat:biological;EN:Aflatoxin B1;MW:312.27
+
@@ -747,37 +747,37 @@
Cat:antibiotics;EN:Vancomycin;MW:1449.25
+
<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
- Ph,-4:/Cl, at -3,\,O,!,Ph, at -4,\,O,!,Ph,-1^15:/Cl, at -3,\,/*OH,*/H^-60,&1,
- @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
- Ph,{-2,-4}:/OH, at -1,\,Ph,-5:/OH, at -2,&4,##,
- {3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
- @10,*\^-60,60,//O,!,NH2, at 13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
- @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
- @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
+ Ph,-4:/Cl, at -3,\,O,!,Ph, at -4,\,O,!,Ph,-1^15:/Cl, at -3,\,/*OH,*/H^-60,&1,
+ @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
+ Ph,{-2,-4}:/OH, at -1,\,Ph,-5:/OH, at -2,&4,##,
+ {3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
+ @10,*\^-60,60,//O,!,NH2, at 13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
+ @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
+ @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Maitotoxin;MW:3425.86
+
<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6, at -3,\,!3,?6,{-4,-3,-3,-3}=?6, at -3,\,?6,-3=?6,
- @-3,\,!3,60,<-30,?6,-3=?6, at -3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
- @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
- {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
- 100,107,113,114,122,123,130,131,140,141,148,149}:O,
- {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
- {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60,
- {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
- {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60,
- {6,46,50,53,60,67,74}:*/H^-60,
- {9,18,85,93,112,139,143,147}:*/_`1^60,
- {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
- @$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
- @6,\,O,30,SOO,30,"O{Na}",
- @$36,-45~zf,O,30,SOO,30,"O{Na}",
- @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
+ @-3,\,!3,60,<-30,?6,-3=?6, at -3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
+ @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
+ {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
+ 100,107,113,114,122,123,130,131,140,141,148,149}:O,
+ {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
+ {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60,
+ {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
+ {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60,
+ {6,46,50,53,60,67,74}:*/H^-60,
+ {9,18,85,93,112,139,143,147}:*/_`1^60,
+ {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
+ @$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
+ @6,\,O,30,SOO,30,"O{Na}",
+ @$36,-45~zf,O,30,SOO,30,"O{Na}",
+ @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
+------------------------------------------------------------------------------
Cat:biological;EN:Okadaic acid;MW:805.00
+
<30,?6, at 4,?6, at -4,\,!3,<-12,?5, at -3,<-12,?6,-3=?6, at -3,*\,!3,
- ?6, at -4,?6, at 6,\,!,/*Me^-40,*/OH^20,!,//O,!1,OH,
- 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
- 32:*/H^60,10:/Me,{12,31}:*/_,27://_,37:/*_,28:/OH,{3,29}:/*OH
+ ?6, at -4,?6, at 6,\,!,/*Me^-40,*/OH^20,!,//O,!1,OH,
+ 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
+ 32:*/H^60,10:/Me,{12,31}:*/_,27://_,37:/*_,28:/OH,{3,29}:/*OH
+------------------------------------------------------------------------------
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,17 +1,15 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.04.18
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.05.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.63
-message "* mcf_exa_soc 2021.04.18";
+input mcf2graph.mf; %%% it must be version 4.64
+message "* mcf_exa_soc 2021.05.05";
message "";
%------------------------------------------------------------------------------
fsize:=(35mm,24mm);
max_blength:=4.5mm;
+tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
%------------------------------------------------------------------------------
%%%%sw_fframe:=1;
-tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
-%%%% atomfont:="uhvb8r";
-%%%% atomfont:="cmtt8";
%%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
%%ext(defaultfont:="uhvr8r"; defaultscale:=.6; label.lrt(inf_EN,(-2bp,1.5bp));)
%------------------------------------------------------------------------------
@@ -38,9 +36,10 @@
if check(mc)=0: MC(scantokens(mc)) fi % 'v:5' select No.5
endfont
%******************************************************************************
+%%%%forever: % All
for i=6 upto 155: % No.6 - No.155
beginfont("f+:mcf_data_base","v:*") % 'f+'=keep file open
- if check(mc)=0: MC(scantokens(mc)) fi % 'v:0' no selection
+ if check(mc)=0: MC(scantokens(mc)) fi % 'v:*' no selection
endfont %
exitif f_EOF=1; % exit if file end
endfor
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 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.04.18
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.05.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
@@ -8,7 +8,7 @@
\edef\jobname{mcf_exa_soc}%
\usepackage{mcf_setup}
%--------------------------------
-\pdfpkresolution=1200
+%%%%\pdfpkresolution=1200
%--------------------------------
%%%%\edef\f at ext{pk}%
\edef\f at ext{mps}%
@@ -46,9 +46,9 @@
\openin\@auxf=\jobname-info.aux%
\CONT at true%
\loop%
-\read\@auxf to \@info%
-\ifeof\@auxf\CONT at false\else\@sfor\@info{\tag at var\@list}%
- %------------------------------------------------------------
+\read\@auxf to \info%
+\ifeof\@auxf\CONT at false\else%
+ \infotovar{\info}%
\begin{picture}(3750,3350)%
\put(20,3000){\footnotesize\bf \the\f at num:\EN}%
\put(20,2750){\labelM MW:\mw { / }FM:\fm}%
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,9 +1,9 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.04.18
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.05.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.63
+input mcf2graph.mf; %% it must be version 4.64
% ** use data base file 'mcf_data_base.mcf'
-message "mcf_man_soc 2021.04.18"; message "";
+message "mcf_man_soc 2021.05.05"; message "";
%------------------------------------------------------------------------
sw_mframe:=0;
sw_expand:=0;
@@ -1312,28 +1312,28 @@
%***************************************************************************
sw_calc:=1;
ext(defaultfont:="uhvr8r"; defaultscale:=.75;
- label.urt("NO = "&decimal(char_num),(0.01w,0.60h));
- label.urt("EN = "&inf_EN ,(0.01w,0.57h));
- label.urt("MW = "&inf_MW ,(0.01w,0.54h));
- label.urt("mw = "&cal_MW ,(0.01w,0.51h));
- label.urt("fm = "&cal_FM ,(0.01w,0.48h));
- label.urt("w = "&decimal(w) ,(0.01w,0.45h));
- label.urt("h = "&decimal(h) ,(0.01w,0.42h));
- label.urt("n = "&decimal(n) ,(0.01w,0.39h));
+ label.urt("NO = "&decimal(char_num),(0.01w,0.55h));
+ label.urt("EN = "&inf_EN ,(0.01w,0.52h));
+ label.urt("MW(D) = "&inf_MW ,(0.01w,0.49h));
+ label.urt("MW(C) = "&cal_MW ,(0.01w,0.46h));
+ label.urt("FM(C) = "&cal_FM ,(0.01w,0.43h));
+ label.urt("w = "&decimal(w) ,(0.01w,0.40h));
+ label.urt("h = "&decimal(h) ,(0.01w,0.37h));
+ label.urt("n = "&decimal(n) ,(0.01w,0.34h));
label.urt("ratio_thickness_bond = "&decimal(ratio_thickness_bond),
- (0.01w,0.36h));
+ (0.01w,0.31h));
label.urt("ratio_atom_bond = "&decimal(ratio_atom_bond),
- (0.01w,0.33h));
+ (0.01w,0.28h));
label.urt("ratio_bondgap_bond = "&decimal(ratio_bondgap_bond),
- (0.01w,0.30h));
+ (0.01w,0.25h));
label.urt("ratio_chain_ring = "&decimal(ratio_chain_ring),
- (0.01w,0.27h));
- label.urt("sw_fframe = "&decimal(sw_fframe),(0.01w,0.24h));
- label.urt("sw_aframe = "&decimal(sw_aframe),(0.01w,0.21h));
- label.urt("sw_trimming = "&decimal(sw_trimming),(0.01w,0.18h));
- label.urt("mc1= "&mc1,(0.01w,0.12h));
- label.urt("mc2= "&mc2,(0.01w,0.09h));
- label.urt("mc3= "&mc3,(0.01w,0.06h));
+ (0.01w,0.22h));
+ label.urt("sw_fframe = "&decimal(sw_fframe),(0.01w,0.19h));
+ label.urt("sw_aframe = "&decimal(sw_aframe),(0.01w,0.16h));
+ label.urt("sw_trimming = "&decimal(sw_trimming),(0.01w,0.13h));
+ label.urt("mc1= "&mc1,(0.01w,0.09h));
+ label.urt("mc2= "&mc2,(0.01w,0.06h));
+ label.urt("mc3= "&mc3,(0.01w,0.03h));
)
%***************************************************************************
beginfont("EN:Ampicillin","MW:349.405",
@@ -1341,8 +1341,9 @@
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,",
": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph"
)
- fsize:=(72mm,110mm);
- blength:=7mm;
+ sw_output:=None;
+ fsize:=(72mm,85mm);
+ blength:=6mm;
if check(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi
endfont
%***************************************************************************
@@ -1350,8 +1351,9 @@
": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ",
": 10:/*H^180,11:/*H^-60,17:/*H^-54, ",
": 1:*/OH,{4,12}:*/_^60, at -1,18,/*_,-60,!3,?!")
- fsize:=(72mm,110mm);
- blength:=7mm;
+ sw_output:=None;
+ fsize:=(72mm,85mm);
+ blength:=5.5mm;
if check(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi
endfont
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.04.18
+% Molecular Coding Format manual by Akira Yamaji 2021.05.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[pdftex]{graphicx}
@@ -12,8 +12,8 @@
%----------------------------------------------------------------------------
%%%%\pdfpkresolution=1200
%----------------------------------------------------------------------------
-\edef\fext{pk}% **** for proof print (fast)
-%%%%\edef\fext{mps}% **** for final print (it takes long time)
+%%%%\edef\fext{pk}% **** for proof print (fast)
+\edef\fext{mps}% **** for final print (it takes long time)
%----------------------------------------------------------------------------
%%%%\edef\fext{png}%
%%%%\edef\fext{svg}%
@@ -54,9 +54,9 @@
}%
%---------------------------------------------------------------------------
\def\put at char{%
- \begin{picture}(75,130)%
- \put(0,120){\bf [\NO]\EN}%
- \put(5,115){\small\tt FM:\fm{ }MW:\mw}%
+ \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}%
}%
@@ -1470,7 +1470,6 @@
\subsection{Metafont/Metapost souce file}
\index{mcf2graph.mf}%
\index{sw\_output}%
-\index{sw\_file\_open}%
\index{tag}%
\index{var}%
\begin{verbatim}
@@ -1608,9 +1607,13 @@
\index{mi}%
\index{w}%
\index{h}%
+\index{Info1}%
+\index{Info2}%
+\index{Info\_t}%
\begin{verbatim}
sw_output:=Info1; % tag1:var1;tag2:var2
sw_output:=Info2; % tag1;tag2 var1;var2
+ sw_output:=Info_t; % tag1:var1;tag2:var2 / output 'temp-info.aux'
\end{verbatim}
\paragraph{(Command line)}
\begin{verbatim}
@@ -1671,6 +1674,7 @@
\noindent%
\newpage
\subsection{Metafont aux file output}
+\index{Mfont}%
\paragraph{(Insert option parameter setting)}
\begin{verbatim}
sw_output:=Mfont;
@@ -1731,11 +1735,69 @@
endfont
\end{verbatim}
%------------------------------------------------------------------------
+\noindent%
\newpage
+\subsection{MCF aux file output(1)}
+\paragraph{(Insert option parameter setting)}
+\index{Mcode}%
+\begin{verbatim}
+sw_output:=Mcode;
+\end{verbatim}
+\paragraph{(Command line)}
+\index{Mcode\_t}%
+\begin{verbatim}
+ >mpost -s ahlength=8 FILENAME (sw_output=Mcode)
+\end{verbatim}
+\paragraph{(Output)}
+\begin{verbatim}
+file name = 'mcf_exa_soc-001-Adenine-mc.aux'
+
+<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+\end{verbatim}
+%------------------------------------------------------------------------
+\subsection{MCF aux file output(2)}
+\paragraph{(Insert option parameter setting)}
+\begin{verbatim}
+beginfont("f:mcf_data_base","t:EN","v:Adenine")
+ sw_output:=Mcode_t;
+endfont
+\end{verbatim}
+%-----------------------------------------------------------------------
+\paragraph{(Lualatex example)}
+%-----------------------------------------------------------------------
+\begin{verbatim}
+%-----------------------------------------------------------------------
+\begin{mplibcode}
+ beginfont("f:mcf_data_base","t:EN","v:Vancomycin")
+ sw_output:=Mcode_t; %%%% output temp-mc.aux %%%%
+ endfont;
+\end{mplibcode}
+%-----------------------------------------------------------------------
+\verbatiminput{temp-mc.aux}
+%-----------------------------------------------------------------------
+\end{verbatim}
+%-----------------------------------------------------------------------
+\paragraph{(Output)}
+%-----------------------------------------------------------------------
+\begin{verbatim}
+file name = 'temp-mc.aux'
+
+<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
+ Ph,-4:/Cl, at -3,\,O,!,Ph, at -4,\,O,!,Ph,-1^15:/Cl, at -3,\,/*OH,*/H^-60,&1,
+ @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
+ Ph,{-2,-4}:/OH, at -1,\,Ph,-5:/OH, at -2,&4,##,
+ {3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
+ @10,*\^-60,60,//O,!,NH2, at 13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
+ @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
+ @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
+\end{verbatim}
+%------------------------------------------------------------------------
+\newpage
\noindent%
\subsection{Report output}
\paragraph{(Insert option parameter setting)}
\index{sw\_output}%
+\index{Report}%
\begin{verbatim}
sw_output:=Report;
\end{verbatim}
@@ -1798,6 +1860,8 @@
\subsection{MOL file output}
\paragraph{(Insert option parameter setting)}
\index{sw\_output}%
+\index{MOL2k}%
+\index{MOL3k}%
\begin{verbatim}
sw_output:=MOL2k; % MOL(V2000)
sw_output:=MOL3k; % MOL(V3000)
@@ -1848,6 +1912,7 @@
%----------------------------------------------------------------------------
\newpage
\subsection{LuaTeX file example}
+\index{None}%
%############################################################################
\begin{verbatim}
\documentclass{article}
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,18 +1,19 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.04.18
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.05.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.63
+% ** mcf2graph.mf must be version 4.64
% ** use mcf_data_base.mcf
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
\usepackage[T1]{fontenc}%
-\usepackage{textcomp}%
+\usepackage{textcomp,verbatim,mcf_setup}%
\mplibcodeinherit{enable}%
\mplibverbatim{enable}%
\mplibnumbersystem{double}%
\everymplib{%
if unknown Ph1: input mcf2graph.mf; fi
+ tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
sw_output:=None;
sw_fframe:=4;
max_blength:=4.5mm;
@@ -46,56 +47,52 @@
\subsection{Chlorophyll a}
\noindent%
\begin{verbatim}
-beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a")
+beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a",
+ ":,||,{4,11,17,23}:red,27:green") %%%% change color of atoms %%%%
fsize:=(100mm,45mm);
if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));
- )
+ ext(defaultscale:=0.8;
+ label.lrt("FM(C): "&cal_FM,(0,h-5mm));
+ label.lrt("MW(C): "&cal_MW,(0,h-9mm));
+ label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
endfont
\end{verbatim}
%------------------------------------------------------------------------------------
\begin{mplibcode}
-beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a")
+beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a",
+ ":,||,{4,11,17,23}:red,27:green") %%%% change color of atoms %%%%
fsize:=(100mm,45mm);
if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));
- )
+ ext(defaultscale:=0.8;
+ label.lrt("FM(C): "&cal_FM,(0,h-5mm));
+ label.lrt("MW(C): "&cal_MW,(0,h-9mm));
+ label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
endfont
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\subsection{Okadaic acid}
+\subsection{Dinophysistoxin-1}
\noindent%
\begin{verbatim}
-beginfont("f:mcf_data_base","t:EN","v:Okadaic acid")
+beginfont("f:mcf_data_base","t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
+ "MW:819",":, at 38,*\,-1=red") %%%% add methyl group (color red) %%%%
fsize:=(150mm,35mm);
if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));
- )
+ ext(defaultscale:=0.8;
+ label.lrt("FM(C): "&cal_FM,(0,h-5mm));
+ label.lrt("MW(C): "&cal_MW,(0,h-9mm));
+ label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
endfont;
\end{verbatim}
%----------------------------------------------------------------------------
\begin{mplibcode}
-beginfont("f:mcf_data_base","t:EN","v:Okadaic acid")
+beginfont("f:mcf_data_base","t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
+ "MW:819",":, at 38,*\,-1=red") %%%% add methyl group (color red) %%%%
fsize:=(150mm,35mm);
if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));
- )
+ ext(defaultscale:=0.8;
+ label.lrt("FM(C): "&cal_FM,(0,h-5mm));
+ label.lrt("MW(C): "&cal_MW,(0,h-9mm));
+ label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
endfont;
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -128,12 +125,10 @@
%------------------------------------------------------------------
fsize:=(120mm,30mm);
if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));
- )
+ ext(defaultscale:=0.8;
+ label.lrt("FM(C): "&cal_FM,(0,h-5mm));
+ label.lrt("MW(C): "&cal_MW,(0,h-9mm));
+ label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
endfont;
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -162,12 +157,10 @@
%---------------------------------------------------------------------
fsize:=(120mm,30mm);
if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));
- )
+ ext(defaultscale:=0.8;
+ label.lrt("FM(C): "&cal_FM,(0,h-5mm));
+ label.lrt("MW(C): "&cal_MW,(0,h-9mm));
+ label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
endfont
\end{mplibcode}
%----------------------------------------------------------------------------
@@ -190,86 +183,70 @@
": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl ")
fsize:=(120mm,25mm);
if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));
- )
+ ext(defaultscale:=0.8;
+ label.lrt("FM(C): "&cal_FM,(0,h-5mm));
+ label.lrt("MW(C): "&cal_MW,(0,h-9mm));
+ label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
endfont
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newpage
%----------------------------------------------------------------------------
-\subsection{Vancomycin}
+\subsection{Maitotoxin}
\noindent%
-%----------------------------------------------------------------------------
+%--------------------------------------------------------------------------------
\begin{verbatim}
-% extract from molecular data base file 'mcf_data_base.mcf'
-EN:Vancomycin;MW:1449.25
-+
-<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
- Ph,-4:/Cl, at -3,\,O,!,Ph, at -4,\,O,!,Ph,-1^15:/Cl, at -3,\,/*OH,*/H^-60,&1,
- @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
- Ph,{-2,-4}:/OH, at -1,\,Ph,-5:/OH, at -2,&4,##,
- {3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
- @10,*\^-60,60,//O,!,NH2, at 13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
- @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
- @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
-+------------------------------------------------------------------------------
-\end{verbatim}
-%----------------------------------------------------------------------------
+%--------------------------------------------------------------------------------
\begin{mplibcode}
-beginfont("f:mcf_data_base","t:EN","v:Vancomycin")
-fsize:=(150mm,40mm);
- if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-4mm));
- label.lrt("MW(C): "&cal_MW,(0,h-8mm));
- label.lrt("MW(D): "&inf_MW,(0,h-12mm));
- )
-endfont;
+ beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
+ sw_output:=Mcode_t; %%%% output temp-mc.aux %%%%
+ endfont;
+ beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
+ sw_output:=Info_t; %%%% output temp-info.aux %%%%
+ if check(mc)=0: MC(scantokens(mc)) fi
+ endfont
\end{mplibcode}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\subsection{Maitotoxin}
-\noindent%
+\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
+\begin{mplibcode}
+ beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
+ fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_fframe:=1;
+ if check(mc)=0: MC(scantokens(mc)) fi %%%% output font %%%%
+ endfont
+\end{mplibcode}
%--------------------------------------------------------------------------------
-\begin{verbatim}
-% extract from molecular data base file 'mcf_data_base.mcf'
-EN:Maitotoxin;MW:3425.86
-+
-<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6, at -3,\,!3,?6,{-4,-3,-3,-3}=?6, at -3,\,?6,-3=?6,
- @-3,\,!3,60,<-30,?6,-3=?6, at -3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
- @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
- {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
- 100,107,113,114,122,123,130,131,140,141,148,149}:O,
- {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
- {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60,
- {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
- {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60,
- {6,46,50,53,60,67,74}:*/H^-60,
- {9,18,85,93,112,139,143,147}:*/_`1^60,
- {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
- @$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
- @6,\,O,30,SOO,30,"O{Na}",
- @$36,-45~zf,O,30,SOO,30,"O{Na}",
- @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
-+------------------------------------------------------------------------------
+\newread\auxfile%
+\openin\auxfile=temp-info.aux %%%% input temp-info.aux %%%%
+\read\auxfile to \info%
+\infotovar{\info} %%%% info to variables %%%%
+\closein\auxfile%
+{\tt ** EN:\EN \quad MW(C):\MW \quad MW(D):\mw \quad FM(C):\fm}%
+%--------------------------------------------------------------------------------
\end{verbatim}
%--------------------------------------------------------------------------------
\begin{mplibcode}
-beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
- fsize:=(170mm,55mm);
- if check(mc)=0: MC(scantokens(mc)) fi
- ext(
- defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,.8h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,.8h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,.8h-13mm));
- )
-endfont
+ beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
+ sw_output:=Mcode_t; %%%% output temp-mc.aux %%%%
+ endfont;
+ beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
+ sw_output:=Info_t; %%%% output temp-info.aux %%%%
+ if check(mc)=0: MC(scantokens(mc)) fi
+ endfont
\end{mplibcode}
+\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
+\begin{mplibcode}
+ beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
+ fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_fframe:=1;
+ if check(mc)=0: MC(scantokens(mc)) fi %%%% output font %%%%
+ endfont
+\end{mplibcode}
+%--------------------------------------------------------------------------------
+\newread\auxfile%
+\openin\auxfile=temp-info.aux %%%% input temp-info.aux %%%%
+\read\auxfile to \info%
+\infotovar{\info} %%%% info to variables %%%%
+\closein\auxfile%
+{\tt ** EN:\EN \quad MW(C):\MW \quad MW(D):\mw \quad FM(C):\fm}%
+%--------------------------------------------------------------------------------
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newpage
\subsection{TCA cycle}
@@ -278,20 +255,20 @@
beginfont("EN:TCA cycle")
fsize:=(160mm,75mm);
max_blength:=5mm;
-%------------------------------------------------------------------------
+%--------------------------------------------------------------------------------
COOH:='(//O,!,OH);
HOCO:='(OH,!,//O,);
-MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH)
-MCat(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165)
-MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH)
-MCat(1, 0.55)(<30,HOCO,!4,COOH, at -4,\`1,COOH)
-MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH)
-MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH)
-MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}")
-MCat(0, 0.05)(<30,HOCO,!3,COOH)
-MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH)
-MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH)
-%-------------------------------------------------------------------------
+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, 0.55)(<30,HOCO,!4,COOH, at -4,\`1,COOH) % 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;
@@ -346,16 +323,16 @@
max_blength:=5mm;
COOH:='(//O,!,OH);
HOCO:='(OH,!,//O,);
-MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH)
-MCat(0.66, 1)(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165)
-MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH, at -4`1,\,COOH)
-MCat(1, 0.55)(<30,HOCO,!4,COOH, at -4,\`1,COOH)
-MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH, at -4,\`1,COOH)
-MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH)
-MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}")
-MCat(0, 0.05)(<30,HOCO,!3,COOH)
-MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH)
-MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH)
+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, 0.55)(<30,HOCO,!4,COOH, at -4,\`1,COOH) % 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;
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.63 Copyright (c) 2013-2021 Akira Yamaji
+% mcf2graph ver 4.64 Copyright (c) 2013-2021 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,
@@ -37,7 +37,7 @@
% Set to use plain.mp (label,arrow,atom) : mpost -s labeloffset=2 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message "* This is mcf2graph ver 4.63 2021.04.18";
+message "* This is mcf2graph ver 4.64 2021.05.05";
%-------------------------------------------------------------------------------------------------
newinternal cntA,cntB,cntM,minX,minY,maxX,maxY,sftX,sftY,com,par,envT,envB,lenT,lineT,angT,rotT,
crR,nA,nB,nC,nD,nE,nF,nS,nL,nR,nU,nP,xpos,ypos,markA,markB,saveA,saveB,bondL;
@@ -44,9 +44,9 @@
numeric save_num[],comD[][],parD[][],adrD[][],cntD[],tbl_atom[],tbl_group[][],f_char[],
tbl_atom_wt[],tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[],addA[],add_rot[],chargeA[],
com_group[][],par_group[][],cnt_group[],colorA[],colorB[],sumA[],bondC[],hideH[],
- lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[],
- mc_indent[],cmm_adr[];
-string save_str[],tbl_atom_str[],strD[],tag[],file_name_output,blank_str,temps,aux_delimiter,
+ lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[],cmm_adr[],
+ mc_indent[];
+string save_str[],tbl_atom_str[],strD[],tag[],file_name_output,blank_str,aux_delimiter,
atomfont,mpfont,s_tag,s_var,cal_FM,cal_MW,cal_MI,
inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
pair save_pair[],posA[],posM[][],msize,mposition,fsize,fmargin,save_mposition,posBs,posBe,dum;
@@ -58,10 +58,10 @@
sw_group_off:=sw_single:=sw_arrow_emu:=sw_output:=0;
numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095;
%-------------------------------------------------------------------------------------------------
-aux_max:=max_inf_num:=20; aux_delimiter:=";"; blank_str:= " ";
+aux_max:=max_inf_num:=20; aux_delimiter:=";"; blank_str:= " "; dum:=(-4091,0);
for i=1 upto aux_max: tag[i]:=""; endfor
-dum:=(-4091,0);
-None:=11; Info1:=21; Info2:=22; Report:=31; MOL2k:=41; MOL3k:=42; Mfont:=51;
+None:=11; Info1:=21; Info2:=22; Info_t:=23; Report:=31; MOL2k:=41; MOL3k:=42;
+Mfont:=51; Mcode:=61; Mcode_t:=62; Info_Mcode_t:=63;
%-------------------------------------------------------------------------------------------------
a_prn_s:=ASCII("("); a_prn_e:=ASCII(")"); a_brc_s:=ASCII("{"); a_brc_e:=ASCII("}");
a_brk_s:=ASCII("["); a_brk_e:=ASCII("]"); a_cmm:=ASCII(","); a_equ:=ASCII("=");
@@ -98,20 +98,22 @@
mpfont:="uhvr8r";
atomfont:=defaultfont:="";
%--default ahangle=45---------------------------------------------------------------------
- if ahangle=0: outputformat:="eps"; % eps format(.mps)
- elseif ahangle=1: outputformat:="png"; hppp:=vppp:=0.12; % png format(600dpi)
- elseif ahangle=11: outputformat:="png"; hppp:=vppp:=0.06; % png format(1200dpi)
- elseif ahangle=2: outputformat:="svg"; % svg format
- elseif ahangle=3: outputformat:="eps"; % eps format(.eps)
- elseif ahangle=45: outputformat:="eps"; % eps format(.eps)
+ if ahangle=0: outputformat:="eps"; % eps format(.mps)
+ elseif ahangle=1: outputformat:="png"; hppp:=vppp:=0.12; % png format(600dpi)
+ elseif ahangle=11: outputformat:="png"; hppp:=vppp:=0.06; % png format(1200dpi)
+ elseif ahangle=2: outputformat:="svg"; % svg format
+ elseif ahangle=3: outputformat:="eps"; % eps format(.eps)
+ elseif ahangle=45: outputformat:="eps"; % eps format(.mps) *default
fi
%--default ahlength=4---------------------------------------------------------------------
if ahlength=1: sw_output:=Info1; % output aux file
elseif ahlength=2: sw_output:=Info2; % output aux file(fixed mode)
elseif ahlength=3: sw_output:=Report; % output report
+ elseif ahlength=4: sw_output:=0; % *default
elseif ahlength=5: sw_output:=MOL2k; % output MOL(V2000)
elseif ahlength=6: sw_output:=MOL3k; % output MOL(V3000)
- elseif ahlength=7: sw_output:=Mfont; % output Mfont
+ elseif ahlength=7: sw_output:=Mfont; % output aux mf
+ elseif ahlength=8: sw_output:=Mcode; % output aux mc
fi
%-- default bboxmargin=2------------------------------------------------------------------
if bboxmargin=1: proc_end:=1; fi % output first font only
@@ -154,11 +156,12 @@
if bboxmargin=1: message "* output first font only"; fi
message "* jobname="&jobname;
message "* numbersystem="&numbersystem;
- if ahlength=1: message "* output info file";
+ if (ahlength=1)or(ahlength=2):
+ message "* output info file";
message "* file name="&jobname&"-info.aux";
message "* info delimiter="&aux_delimiter;
- ef ahlength=2: message "* output report file";
- message "* file name="jobname&"-report.txt";
+ ef ahlength=3: message "* output report file";
+ message "* file name="&jobname&"-report.txt";
ef ahlength=5: message "* output MOL file(V2000)";
message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
ef ahlength=6: message "* output MOL file(V3000)";
@@ -251,10 +254,10 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def beginfont(text s)=
begingroup
- save ',f_beginchar,f_ext,blen,ext,add,ang_br,n_fw,n_bw,at_colon,at_semicol,info,mc,temps,
- file_name_input,t_tag,f_close;
+ save ',f_beginchar,f_ext,blen,ext,add,ang_br,n_fw,n_bw,at_colon,at_semicol,temps,t_tag,f_close,
+ mc,info,file_name_input,bond_cnt,warning_cnt,hideH_cnt,bondC;
numeric at_semicol[];
- string info[],mc[],temps,mc,file_name_input,t_tag;
+ string info[],mc[],mc,temps,file_name_input,t_tag;
%------------------------------------------------------------------------------------------------
def ext=ext_to_font enddef;
def add=add_to_molecule enddef;
@@ -296,7 +299,7 @@
enddef;
%==================================================================================================
def endfont=
- if (sw_output=0)or(sw_output=None):
+ if ((sw_output=0)or(sw_output=None))and(f_EOF=0):
if cntM>=1:
if sw_ext_all=1: ext_to_font(EXT_ALL); fi
if sw_trimming>=1:
@@ -344,7 +347,18 @@
%% message "* parts_cnt (0)="& decimal(parts_cnt) &" "& decimal(parts_usr-parts_usr_start);
%% message "* parts_int (0)="& decimal(parts_int) &" "& decimal(parts_int-parts_int_start);
%-----------------------------------------------------------------------------------------------
+ ef sw_output=Info1: proc_info_out(1);
+ ef sw_output=Info2: proc_info_out(2);
+ ef sw_output=Info_t: proc_info_out(3);
+ ef sw_output=Mcode: proc_mc_out(1);
+ ef sw_output=Mcode_t: proc_mc_out(2);
+ ef sw_output=Mfont: proc_mf_out(0);
+ ef sw_output=Report: proc_report_out(0);
+ ef sw_output=MOL2k: proc_mol_out(1);
+ ef sw_output=MOL3k: proc_mol_out(2);
+ ef sw_output=Info_Mcode_t: proc_info_out(3); proc_mc_out(2);
fi
+ %-----------------------------------------------------------------------------------------------
restore_par(parameter_list);
if proc_end=1: scantokens("bye"); fi
endgroup;
@@ -937,7 +951,7 @@
mol_stru[cntM]:=currentpicture;
clearit;
endgroup;
- if cntM=1: if (sw_output>=None)and(sw_output<=Mfont): proc_output(sw_output); fi fi
+ if sw_output>0: proc_calc(0); fi
enddef;
%-------------------------------------------------------------------------------------------------
def add_group=
@@ -1508,10 +1522,21 @@
else: ATOM
fi
enddef;
+%-------------------------------------------------------------------------------------------------
+vardef erase_space(expr TXT)=
+ save temp_c,temp_s;
+ string temp_c,temp_s;
+ temp_s:="";
+ for i=1 upto length(TXT):
+ temp_c:=subc(i,TXT);
+ if temp_c=" ": temp_s:=temp_s&"_"; else: temp_s:=temp_s&temp_c; fi
+ endfor
+ temp_s
+enddef;
%=================================================================================================
-def proc_output(expr n)=
+def proc_calc(expr n)=
begingroup
- save knownA,bondC,tmp_wtp,bond_cnt,warning_cnt,hideH_cnt;
+ save knownA,tmp_wtp;
num_MW:=num_MI:=cen_MW:=cen_MI:=tbl_atom_max:=warning_cnt:=hideH_cnt:=0;
nE:=parts_emb_start;
for i=1 upto tbl_atom_end: sumA[i]:=0; endfor
@@ -1581,27 +1606,22 @@
if cen_MI<40: cal_MI:=substring (0,10) of decimal(num_MI);
else: num_MI:=cen_MI; cal_MI:=fdr(8)(cen_MI)&"*100"; fi
%-------------------------------------------------------------------------------------
- if n=Report: proc_report_out(0);
- ef n=Info1: proc_auxfile_out(1);
- ef n=Info2: proc_auxfile_out(2);
- ef n=MOL2k: proc_mol_out(1);
- ef n=MOL3k: proc_mol_out(2);
- ef n=Mfont: proc_mf_out(0);
- fi
endgroup
enddef;
%=================================================================================================
-def proc_auxfile_out(expr n)=
+def proc_info_out(expr n)=
message "["&decimal(char_num)&"]:"&inf_EN;
- file_name_output:=jobname&"-info.aux";
+ if n=3: file_name_output:="temp-info.aux";
+ else: file_name_output:=jobname&"-info.aux";
+ fi
%--------------------------------------------------------------------------------------
if (char_num=1)and(n=2):
- printf tag[1] for i=2 upto aux_max: exitif tag[i]=""; &aux_delimiter&tag[i] endfor ;
+ printf tag[1] for i=2 upto aux_max: exitif tag[i]=""; &aux_delimiter&tag[i] endfor% ;
fi
%--------------------------------------------------------------------------------------
for i=1 upto aux_max: exitif tag[i]="";
if i=1: printf "" else: &aux_delimiter fi
- if n=1: &tag[i]&":" fi
+ if (n=1)or(n=3): &tag[i]&":" fi
%-------------------------------------------
if tag[i]="J": & jobname
ef tag[i]="C": & decimal(char_num)
@@ -1627,14 +1647,10 @@
ef tag[i]="EXB": & inf_EXB
ef tag[i]="MC": & inf_MC
fi
- endfor
+ endfor ;
+ if n=3: printf EOF; fi
enddef;
%=================================================================================================
-vardef round_auto(expr n)=
- if (n<4) and(n>-4): round(n*1000)/1000 elseif (n<40) and(n>-40): round(n*100)/100
- elseif (n<400)and(n>-400): round(n*10)/10 else: round(n) fi
-enddef;
-%-------------------------------------------------------------------------------------------------
def proc_report_out(expr n)=
message "["&decimal(char_num)&"]:"&inf_EN;
file_name_output:=jobname&"-report.txt";
@@ -1642,9 +1658,7 @@
printf " No."&fdr(4)(char_num)&" / Name = "& inf_EN&" / file = "& file_name_input;
if mc_row>=1:
printf "---------------------------------------------------------------------------";
- for i=1 upto mc_row:
- printf (substring(0,mc_indent[i]) of blank_str)&mc[i];
- endfor
+ for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blank_str)&mc[i]; endfor
printf "---------------------------------------------------------------------------";
printf " row="&fdr(3)(mc_row)&" / length="&fdr(4)(length(mc))&
" / commands="&fdr(3)(cnt_cmm);
@@ -1698,10 +1712,15 @@
if inf_FM<>"-": &inf_FM&" / "& iif(inf_FM=cal_FM,"MACTCH","NOT MACTCH") fi;
printf "===========================================================================";
enddef;
+%-------------------------------------------------------------------------------------------------
+vardef round_auto(expr n)=
+ if (n<4) and(n>-4): round(n*1000)/1000 elseif (n<40) and(n>-40): round(n*100)/100
+ elseif (n<400)and(n>-400): round(n*10)/10 else: round(n) fi
+enddef;
%=================================================================================================
def proc_mol_out(expr n)=
message "["&decimal(char_num)&"]:"&inf_EN;
- file_name_output:=jobname&"-"&fit_zero(char_num)&"-"&inf_EN&".mol";
+ file_name_output:=jobname&"-"&fit_zero(char_num)&"-"&erase_space(inf_EN)&".mol";
%-V2000---------------------------------------------------------------------------------------
if n=1:
printf ""; printf " -MCFtoMOL- "&fsl(20)(info[1]); printf "";
@@ -1753,7 +1772,16 @@
printf "endfont";
if n=1: printf "%-------------------------------------------------------------------------"; fi
enddef;
-%-------------------------------------------------------------------------------------------------
+%=================================================================================================
+def proc_mc_out(expr n)=
+ message "["&decimal(char_num)&"]:"&inf_EN;
+ if n=2: file_name_output:="temp-mc.aux";
+ else: file_name_output:=jobname&"-"&fit_zero(char_num)&"-"&erase_space(inf_EN)&"-mc.aux";
+ fi
+ for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blank_str)&mc[i]; endfor
+ printf EOF;
+enddef;
+%=================================================================================================
vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" else: "" fi &decimal(n) enddef;
%-------------------------------------------------------------------------------------------------
vardef bond_type(expr n)=
Modified: trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty
===================================================================
--- trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty 2021-05-05 01:24:13 UTC (rev 59085)
+++ trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty 2021-05-05 19:35:28 UTC (rev 59086)
@@ -1,6 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf_setup.sty for input aux file by Akira Yamaji 2020.04.04
+% mcf_setup.sty for input aux file by Akira Yamaji 2021.05.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%------------------------------------
\edef\@J{J} \edef\Job{}% 1
\edef\@C{C} \edef\Char{}% 2
%------------------------------------
@@ -72,6 +73,8 @@
}%
%-----------------------------------------------------------------------------
\def\z at num#1{\ifnum#1<10 00\the#1\else\ifnum#1<100 0\the#1\else \the#1\fi\fi}%
+%-----------------------------------------------------------------------------
+\def\infotovar#1{\@sfor#1{\tag at var\@list}}%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% sfor : modified latex2e kernel program control
% @for => @sfor delimiter ',' => ';'
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