texlive[72872] Master/texmf-dist/doc/metapost/mcf2graph: mcf2graph
commits+karl at tug.org
commits+karl at tug.org
Sun Nov 17 22:16:25 CET 2024
Revision: 72872
https://tug.org/svn/texlive?view=revision&revision=72872
Author: karl
Date: 2024-11-17 22:16:25 +0100 (Sun, 17 Nov 2024)
Log Message:
-----------
mcf2graph (17nov24)
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/main_lib.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
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
trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,6 +1,15 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2024-11-10
+ Changelog of mcf2graph software package by Akira Yamaji 2024-11-17
*******************************************************************************
+[ver. 5.14 / 2024-11-17]
+ -change syntax of inverter inside {..}
+ {n1,n2',n3..} => {n1,*n2,n3..}
+ -change syntax of separator inside {..}
+ {n1,*n2,n3..} => {n1'*n2'n3..}
+ -update mcf2graph.mp
+ -update main_lib.mcf
+ -update MCF manual,example,template
+
[ver. 5.13 / 2024-11-10]
-add binary operator '
a ' b : {a,b} or ''(a,b)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with MetaPost
Author : Akira Yamaji
- version : 5.13 2024-11-10
+ version : 5.14 2024-11-17
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -44,7 +44,7 @@
(9) >mpost -s ahlength=7 filename.mp => output report file
4. License
- mcf2graph ver 5.13 Copyright (c) 2013-2024 Akira Yamaji
+ mcf2graph ver 5.14 Copyright (c) 2013-2024 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/main_lib.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file main_lib.mcf by Akira Yamaji 2024.11.10
+% molecular library file main_lib.mcf by Akira Yamaji 2024.11.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% must use version 5.13
+% must use version 5.14
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
% first character of line ":" start MCF
@@ -234,7 +234,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:D-Glucose;MW:180.16;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+hexose_hp,#.5,{1^$-90'2^$90'3^$-90'4^$-90}:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Fructose 1;MW:180.16;EXA:1
@@ -244,87 +244,87 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Fructose 2;MW:180.16;EXA:1
:
-<-18,?5,5:O,1^-48:*/*!OH,1^48:/OH,{2',3}:*/OH,4:/*!OH
+<-18,?5,5:O,1^-48:*/*!OH,1^48:/OH,*2'3:*/OH,4:/*!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:D-Fluctose;MW:180.16;EXA:1
:
-Pyranose_hp,#.5,1^$-90:/OH,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH
+Pyranose_hp,#.5,1^$-90:/OH,{2^$-90'3^$90}:/OH,{1^$90'4^$-90}:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:D-Galactose;MW:180.16;EXA:1
:
-hexose_hp,#.5,{1^$90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+hexose_hp,#.5,{1^$90'2^$90'3^$-90'4^$-90}:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:D-Mannose;MW:180.16;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,3^$90,4^$-90}:/OH,6^$90:/!OH
+hexose_hp,#.5,{1^$-90'2^$90'3^$90'4^$-90}:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Fucose;MW:164.16;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$-90,3^$90,4^$90}:/OH,6^$-90:/_
+hexose_hp,#.5,{1^$-90'2^$-90'3^$90'4^$90}:/OH,6^$-90:/_
;
%------------------------------------------------------------------------------
CAT:biological;EN:D-Ribose;MW:150.13;EXA:1
:
-Pyranose_hp,#.5,{2^$-90,3^$-90,4^$90}:/OH,1^$90:/!OH
+Pyranose_hp,#.5,{2^$-90'3^$-90'4^$90}:/OH,1^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:D-Deoxyribose;MW:134.13;EXA:1
:
-Pyranose_hp,#.5,{2^$-90,4^$90}:/OH,1^$90:/!OH
+Pyranose_hp,#.5,{2^$-90'4^$90}:/OH,1^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:D-Glucosamine;MW:179.17;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90:/NH2,6^$90:/!OH
+hexose_hp,#.5,{1^$-90'2^$90'4^$-90}:/OH,3^$-90:/NH2,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:N-acetyl-Glucosamine;MW:221.21;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90>lr:/NH!'?O!,6^$90:/!OH
+hexose_hp,#.5,{1^$-90'2^$90'4^$-90}:/OH,3^$-90>lr:/NH!'?O!,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Glucuronic acid;MW:194.14;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/COOH
+hexose_hp,#.5,{1^$-90'2^$90'3^$-90'4^$-90}:/OH,6^$90:/COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Maltose;MW:342.3;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+hexose_hp,#.5,{1^$-90'2^$90'3^$-90}:/OH,6^$90:/!OH,##,
@4,$-50~arc_lb`1,O,$50~arc_br`1,<$0,
- |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+ |,hexose_hp,#.5,{2^$90'3^$-90'4^$-90}:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sucrose;MW:342.3;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+hexose_hp,#.5,{1^$-90'2^$90'3^$-90}:/OH,6^$90:/!OH,##,
@4,$-50~arc_lb`1,O,$50~arc_br`1,<$0,
|,#1.4,-35~wf_r,35~bd_r`1,30~wb_r,130`1.66,O,&1,##,
- #.5,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH
+ #.5,{2^$-90'3^$90}:/OH,{1^$90'4^$-90}:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Lactose;MW:342.3;EXA:1
:
-hexose_hp,#.5,{1^$90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+hexose_hp,#.5,{1^$90'2^$90'3^$-90}:/OH,6^$90:/!OH,##,
@4,$0~arc_ltr,O,$0~arc_lbr,
- |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+ |,hexose_hp,#.5,{2^$90'3^$-90'4^$-90}:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cellobiose;MW:342.3;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+hexose_hp,#.5,{1^$-90'2^$90'3^$-90}:/OH,6^$90:/!OH,##,
@4,$0~arc_lbr,O,$0~arc_ltr,
- |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH
+ |,hexose_hp,#.5,{2^$90'3^$-90'4^$-90}:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Trehalose;MW:342.3;EXA:1
:
-hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
- @4,@(1,0),|,hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##,
+hexose_hp,#.5,{1^$-90'2^$90'3^$-90}:/OH,6^$90:/!OH,##,
+ @4,@(1,0),|,hexose_hp,#.5,{1^$-90'2^$90'3^$-90}:/OH,6^$90:/!OH,##,
||, at 4,$-37~arc_lb`3.25,O,&10~arc_br
;
%==============================================================================
@@ -495,7 +495,7 @@
CAT:biological;EN:Thiamine;MW:265.35;EXA:1
:
<30,Ph,4:/NH2, at 3,\`1,!,<-12,?5,-1'-4=dl,1'5'8:N,11:S,6'9:/_,
- -3:/!2'OH^-12,8:p_^72
+ -3^-12:/!2'OH,8:p_^72
;
%------------------------------------------------------------------------------
CAT:biological;EN:Riboflavin;MW:376.37;EXA:1
@@ -526,7 +526,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Biotin;MW:244.31;EXA:1
:
-<18,?5,4=?5,2:S,6'8:NH,7:?O,{4^-54,5^54}:*/H,3:/*!4'COOH^-12
+<18,?5,4=?5,2:S,6'8:NH,7:?O,{4^-54'5^54}:*/H,3^-12:/*!4'COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Folic acid;MW:441.3975;EXA:1
@@ -538,7 +538,7 @@
CAT:biological;EN:Carotene;MW:536.8726;EXA:1
:
<30,?6, at 4,\,!18,?6,
- {8,10,12,14,16,18,20,22,24}=dr,{5,9,13,18,22,-5}:/_,4'-6=dl,3'-1:??
+ 8'10'12'14'16'18'20'22'24=dr,5'9'13'18'22'-5:/_,4'-6=dl,3'-1:??
;
%------------------------------------------------------------------------------
CAT:biological;EN:Adrenalin;MW:183.21;EXA:1
@@ -564,13 +564,13 @@
CAT:biological;EN:Gibberellin A3;MW:346.379;EXA:1
:
<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://_,{13,8'}:*/OH,14:*/_,1'4:*/H^60
+ @5,40~zf`1,O,50,?O^180,&14~zb,2:/COOH,7://_,*8'13:*/OH,14:*/_,1'4:*/H^60
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cholesterol;MW:386.664;EXA:1
:
<30,?6,-4'-2=?6,-4=?5,7=dl,
- 1:*/OH,4'12:*/_^60,{9'^60,10^180,11^-60,-1^-60}:/*H, at -1,17,/*_,!4,?!
+ 1:*/OH,4'12:*/_^60,{*9^60'10^180'11^-60'-1^-60}:/*H, at -1,17,/*_,!4,?!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Resveratrol;MW:228.24;EXA:1
@@ -585,7 +585,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Trenbolone;MW:270.37;EXA:1
:
-<30,?6,3'10=?6,13=?5,2'11'15=dl,1:?O,12:*/_^60,-1:/*OH,{9^60,11'^-60}:*/H
+<30,?6,3'10=?6,13=?5,2'11'15=dl,1:?O,12:*/_^60,-1:/*OH,{9^60'*11^-60}:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Luciferin;MW:280.33;EXA:1
@@ -596,9 +596,9 @@
CAT:biological;EN:Chlorophyll a;MW:893.509;EXA:1
:
<-36,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5, at 6,22,70,&8,##,
- {4,6,8,10,14,16,18,21,23,27}=dl, at 4,\`1.48~vf,Mg,&17~vb, at 11,&27, at 27,&23,
- {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!d,25:/*?O!'O!,26:?O,
- @2,*\^-6,!2,?O!,O!2,!d,|,!13,{1,5,9,13}:/_
+ 4'6'8'10'14'16'18'21'23'27=dl, at 4,\`1.48~vf,Mg,&17~vb, at 11,&27, at 27,&23,
+ 4'11'17'23:N,{1~zf'9'15'21}:/_,14:/!,20:/!d,25:/*?O!'O!,26:?O,
+ @2,*\^-6,!2,?O!,O!2,!d,|,!13,1'5'9'13:/_
;
%------------------------------------------------------------------------------
CAT:biological;EN:Alizarin;MW:240.21;EXA:1
@@ -618,8 +618,8 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Carminic Acid;MW:492.39;EXA:1
:
-<30,Ph,3=?6,-3=Ph2,7'10:?O,{2,5,6,13}:/OH,11:/_,12:/COOH,
- @1,\~wb`1,?6,-5:O,{-1,-2',-3}:/*OH,-4:*/!OH
+<30,Ph,3=?6,-3=Ph2,7'10:?O,2'5'6'13:/OH,11:/_,12:/COOH,
+ @1,\~wb`1,?6,-5:O,-1'*-2'-3:/*OH,-4:*/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Curcumin;MW:368.38;EXA:1
@@ -629,7 +629,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Berberine;MW:336.36;EXA:1
:
-<30,Ph,3=Ph,-3=?6,-2=Ph2,-3=?5,8:N,8:p_^60,-1'-3:O,{1>vt,2}:/!OH
+<30,Ph,3=Ph,-3=?6,-2=Ph2,-3=?5,8:N,8:p_^60,-1'-3:O,{1>vt'2}:/!OH
;
%==============================================================================
CAT:biological;EN:Apigenin;MW:270.24;EXA:-
@@ -664,19 +664,19 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Cianidanol;MW:290.27;EXA:1
:
-<30,Ph,3=?6, at 8,*\,Ph,7:O,{1,5,9~zf,13,14}:/OH
+<30,Ph,3=?6, at 8,*\,Ph,7:O,{1'5'9~zf'13'14}:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Quercetin;MW:302.24;EXA:1
:
-<30,Ph,3=?6, at 9,\,Ph,9=dl,10:O,7:?O,{2,6,8,13,14}:/OH
+<30,Ph,3=?6, at 9,\,Ph,9=dl,10:O,7:?O,2'6'8'13'14:/OH
;
%==============================================================================
CAT:biological;EN:Limonin;MW:470.518;EXA:1
:
-<30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,{13,15,17,20}:O,
- {3,12,21}:?O,{4^60,8'^60}:*/_,18:??,{1^60,5^180,16^60}:/*H,
- @14,\*,|,?5,{1,4}=dl,3:O
+<30,?6,-3'-4=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,13'15'17'20:O,
+ 3'12'21:?O,{4^60'*8^60}:*/_,18:??,{1^60'5^180'16^60}:/*H,
+ @14,\*,|,?5,1'4=dl,3:O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cromolyn;MW:468.37;EXA:1
@@ -687,7 +687,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Emetine;MW:480.649;EXA:1
:
-<30,Ph,-4'-4=?6,8:N,1'6:/O!,-2:/*!,{7^-60,12^-60}:/*H,
+<30,Ph,-4'-4=?6,8:N,1'6:/O!,-2:/*!,{7^-60'12^-60}:/*H,
@-3,\,!zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,2'4=dl,-2'-3:/O!
;
%------------------------------------------------------------------------------
@@ -708,19 +708,19 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Hypericin;MW:504.44;EXA:1
:
-<30,Ph,{-4,-3,11--4,16---17,19,23---24,22--29}=?6,
- {12,14,16,17,22',24,26,28,33,35}=dl,
- 7'25:?O,13'26:/_,{2,6,11,21,23,28}:/OH
+<30,Ph,{-4'-3'11--4'16---17'19'23---24'22--29}=?6,
+ 12'14'16'17'*22'24'26'28'33'35=dl,
+ 7'25:?O,13'26:/_,2'6'11'21'23'28:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Camphor;MW:152.23;EXA:1
:
-#1,15,-30,90,90,30,##,&1, at 2,0~si_`1.6,&5,{-1^45,-1^-65,5^-45}:/_,4:?O
+#1,15,-30,90,90,30,##,&1, at 2,0~si_`1.6,&5,{-1^45'-1^-65'5^-45}:/_,4:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sparteine;MW:234.3803;EXA:1
:
-<30,?6,3=?6,9=wf,10=wb, at 8,#1,60,60,N,60,##,&10,-3=?6,3:N,{4^60,11'^-60}:*/H
+<30,?6,3=?6,9=wf,10=wb, at 8,#1,60,60,N,60,##,&10,-3=?6,3:N,{4^60'*11^-60}:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Mitomycine C;MW:334.332;EXA:1
@@ -732,7 +732,7 @@
CAT:biological;EN:Podophyllotoxin;MW:414.41;EXA:1
:
<0,?5,2'5:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3:?O,
- @10,\*,Ph,-2'-3'-4:/O!,13:/*OH,{11^-60,12'^60}:*/H
+ @10,\*,Ph,-2'-3'-4:/O!,13:/*OH,{11^-60'*12^60}:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Warfarin;MW:308.333;EXA:1
@@ -752,19 +752,19 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Reserpine;MW:608.688;EXA:1
:
-<54,Ph,3=?5,{-2,-4,-3}=?6,9=dl,11:N,7:NH,{10'^-60,15^-60,16^60}:/*H,
- @20,*\,O!,?O,!Ph,{-2,-3,-4,1,19~zf>rl}:/O!,18:*/?O!'O!>lr
+<54,Ph,3=?5,-2'-4'-3=?6,9=dl,11:N,7:NH,{*10^-60'15^-60'16^60}:/*H,
+ @20,*\,O!,?O,!Ph,{-2'-3'-4'1'19~zf>rl}:/O!,18:*/?O!'O!>lr
;
%------------------------------------------------------------------------------
CAT:biological;EN:Rotenone;MW:394.423;EXA:1
:
-<-60,?5,{-3,-2,-3,-4}=?6,{3',7,9,17',-2,-4}=dl,
- {2,13,16}:O,10:?O,{11^-60,12^60}:*/H,-2'-3:/O!,1:*/?!d
+<-60,?5,-3'-2'-3'-4=?6,*3'7'9'*17'-2'-4=dl,
+ 2'13'16:O,10:?O,{11^-60'12^60}:*/H,-2'-3:/O!,1:*/?!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pyrethrin I;MW:328.452;EXA:1
:
-<30,?3,{3^35,3'^-35}:*/_, at 1,*\,!d,?!,
+<30,?3,{3^35'*3^-35}:*/_, at 1,*\,!d,?!,
@2,\*,?O!,O,-36~zb,|,?5,-2=dl,-1:/_,-3:?O, at -2,\,!4,-1'-3=dl
;
%------------------------------------------------------------------------------
@@ -776,26 +776,26 @@
CAT:biological;EN:Paclitaxel;MW:853.918;EXA:1
:
?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,
+ 4:??,6:/_,{3^-60'15}:*/OH,8^-60:/*H,9^60:*/_,10:?O,
@1,\,O!,?O!,*/OH,!,/Ph,60~wf,NH,-60,?O,60,Ph,
- @7,\*,O,-45,?O,60,Ph,{11>rl,12'^-15>lr}:*/O!'?O!
+ @7,\*,O,-45,?O,60,Ph,{11>rl'*12^-15>lr}:*/O!'?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Mevastatin;MW:390.52;EXA:1
:
-<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,
+<30,?6,2=dl,4^60:*/H,-4=?6,-4=dl,9:*/_,
@10,*\,!,60~wb,?6,6:O,-2:?O,-4:/*OH, at 5,\*,O,60,?O!,*/_,!2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sesamine;MW:354.35;EXA:1
:
-<54,?5,1=?5,4'7:O,{1^-54,2^54}:*/H,
- 5^-12:*/Ph'(4=?5)'(7:O)'(9:O),8^-12:*/Ph'(4=?5)'(7:O)'(9:O)
+<54,?5,1=?5,4'7:O,{1^-54'2^54}:*/H,
+ 5^-12:*/Ph'(4=?5)'(7'9:O),8^-12:*/Ph'(4=?5)'(7'9:O)
;
%------------------------------------------------------------------------------
CAT:biological;EN:Morphine;MW:285.343;EXA:1
:
-<30,Ph,{2,-4}=?6,1---12=?5,-1:O,-1=zb,
+<30,Ph,2'-4=?6,1---12=?5,-1:O,-1=zb,
@7,60~wf`0.75,70~si_`1.3,45,N?,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH
;
%------------------------------------------------------------------------------
@@ -802,7 +802,7 @@
CAT:biological;EN:Quinine;MW:324.424;EXA:1
:
<30,Ph,3=Ph,7:N,6:/O!,
- @10,\,*/OH,/*H^-60,!,|,?6,2:N,1:*/H^60, at 4,*\,!d, at 2,165~zf,60,&5~zb
+ @10,\,*/OH,/*H^-60,!,|,?6,2:N,1^60:*/H, at 4,*\,!d, at 2,165~zf,60,&5~zb
;
%------------------------------------------------------------------------------
CAT:biological;EN:Atoropin;MW:289.375;EXA:1
@@ -817,17 +817,17 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Lycorine;MW:287.315;EXA:1
:
-<30,Ph,-4'-2=?6,{6,9--12}=?5,13=dl,8:N,15'17:O,{9'^180,10^60}:*/H,{13,14'}:*/OH
+<30,Ph,-4'-2=?6,6'(9--12)=?5,13=dl,8:N,15'17:O,{*9^180'10^60}:*/H,13'*14:*/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Ibotenic acid;MW:158.113;EXA:1
:
-<18,?5,4=dl,3:O,2:NH,1:?O,4:/?NH2'!COOH^-24
+<18,?5,4=dl,3:O,2:NH,1:?O,4^-24:/?NH2'!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Illudin S;MW:264.3;EXA:1
:
-<30,?6,3=?5,6:**?3,4'7=dl,2:?O,5:/_,{1^35,8^35}:*/_,{1'^-35,9}:*/OH,8:/*!OH^-35
+<30,?6,3=?5,6:**?3,4'7=dl,2:?O,5:/_,{1^35'8^35}:*/_,{*1^-35'9}:*/OH,8^-35:/*!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Muscarine;MW:174.26;EXA:1
@@ -844,30 +844,30 @@
:
#1,<60,-90,60,-30`1.15,150,60,&1, at 3,-135,60,-30`1.15,150,&4,
@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:NH,6^180:NH
+ @9,45,-60,OH,1^120://NH,{5~zf^-15'7'9^-75'12'13~zf}:/OH,2:NH,6^180:NH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Aflatoxin B1;MW:312.27;EXA:1
:
<30,Ph,6=?6,-2=?5,4=?5,-2=?5,-2'10=dl,7'14'17:O,
- 2:/O!,8'11:?O,{15^-54,16^54}:*/H
+ 2:/O!,8'11:?O,{15^-54'16^54}:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Aflatoxin B2;MW:314.3;EXA:-
:
-<30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,7'14'17:O,2:/O!,8'11:?O,{15^-54,16^54}:*/H
+<30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,7'14'17:O,2:/O!,8'11:?O,{15^-54'16^54}:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Aflatoxin G1;MW:328.27;EXA:2
:
<30,Ph,6=?6,-2=?6,4=?5,-2=?5,-2'10=dl,7'12'15'18:O,
- 2:/O!,8'11:?O,{16^-54,17^54}:*/H
+ 2:/O!,8'11:?O,{16^-54'17^54}:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Aflatoxin G2;MW:330.29;EXA:-
:
<30,Ph,6=?6,-2=?6,4=?5,-2=?5,10=dl,7'12'15'18:O,
- 2:/O!,8'11:?O,{16^-54,17^54}:*/H
+ 2:/O!,8'11:?O,{16^-54'17^54}:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Aflatoxin M1;MW:328.3;EXA:-
@@ -890,8 +890,8 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Deoxynivalenol;MW:296.32;EXA:1
:
-<30,?6,3=?6,5=dl,1:?O,6:/_,-1:O,{4'^60,-2}:*/H,7^30:*/_, at 7,72`.9,80`1.3,&9,
- @8,?3,-3=wf_,-1=si_,-1:O,{2,12^18}:/*OH,3:/*!OH^-60`1
+<30,?6,3=?6,5=dl,1:?O,6:/_,-1:O,{*4^60'-2}:*/H,7^30:*/_, at 7,72`.9,80`1.3,&9,
+ @8,?3,-3=wf_,-1=si_,-1:O,{2'12^18}:/*OH,3^-60`1:/*!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Patulin;MW:154.12;EXA:1
@@ -901,7 +901,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Citrinin;MW:250.247;EXA:1
:
-<30,?6,3=?6,{2,5,11}=dl,9:O,1:?O,2:/_,{7,8'}:*/_,5:/OH,6:/COOH
+<30,?6,3=?6,2'5'11=dl,9:O,1:?O,2:/_,7'*8:*/_,5:/OH,6:/COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Zearalenone;MW:318.364;EXA:1
@@ -912,7 +912,7 @@
CAT:biological;EN:Fumonisin B1;MW:721.83;EXA:1
:
<30,!19, at 6,*\,O!,?O!2,/COOH,!2,COOH, at 7,\*`1.2,O!,?O!2,/COOH,!2,COOH,
- 5'9:/*_,{11,16,18'}:*/OH,19:/*NH2
+ 5'9:/*_,11'16'*18:*/OH,19:/*NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Dicumarol;MW:336.295;EXA:-
@@ -957,7 +957,7 @@
%------------------------------------------------------------------------------
CAT:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1
:
-<30,Ph,{1,2,3,4,5,6}:/Ph
+<30,Ph,1'2'3'4'5'6:/Ph
;
%==============================================================================
CAT:synthetic;EN:Naphthalene;MW:128.17;EXA:1
@@ -992,13 +992,13 @@
%------------------------------------------------------------------------------
CAT:synthetic;EN:Coronene;MW:300.35;EXA:1
:
-<30,Ph,{1,11--2,15--3,19--4,23--5,27---7}=?6,{9,12,14,17,20,22,25,28,30}=dl
+<30,Ph,{1'11--2'15--3'19--4'23--5'27---7}=?6,9'12'14'17'20'22'25'28'30=dl
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Kekulene;MW:600.7;EXA:1
:
-<30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,-2----5,5---- -4}=?6,
- {1,5',7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl
+<30,?6,{3'-3'-2'-3'-2'-3'-2'-3'-2'-3'-2----5'5---- -4}=?6,
+ 1'*5'7'9'11'13'17'19'21'23'27'29'31'33'37'39'41'43'47'49'51'53'57'60=dl
;
%==============================================================================
CAT:synthetic;EN:12-Crown-4;MW:176.21;EXA:-
@@ -1019,24 +1019,24 @@
CAT:synthetic;EN:Porphyrin;MW:310.4;EXA:1
:
<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;EXA:1
:
<67.5,?8,1'3'5'7=?5, at 11,30`1.15,&12, at 14,30`1.15,&15,
- @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;EXA:1
:
-<18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/Ph'(3:/NH2)'(4:/OH)
+<18,?5,1'2'3'4'5:As,1'2'3'4'5:/Ph'(3:/NH2)'(4:/OH)
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Melamine;MW:126.12;EXA:1
:
-<30,Ph,{2,4,6}:N,{1,3,5}:/NH2
+<30,Ph,2'4'6:N,1'3'5:/NH2
;
%==============================================================================
CAT:synthetic;EN:Tartrazine;MW:534.3;EXA:1
@@ -1087,7 +1087,7 @@
%------------------------------------------------------------------------------
CAT:synthetic;EN:Disperse violet 26;MW:422.438;EXA:1
:
-<30,Ph,3=?6,-3=dr,9=Ph,7'10:?O,-1'-4:/NH2,{-2>-30,-3>30}:/O!'Ph
+<30,Ph,3=?6,-3=dr,9=Ph,7'10:?O,-1'-4:/NH2,{-2>-30'-3>30}:/O!'Ph
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Vat blue 1;MW:262.27;EXA:1
@@ -1146,7 +1146,7 @@
CAT:antibiotics;EN:Dicloxacillin;MW:470.3264;EXA:1
:
<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:/Ph'(2'6:/Cl)^-24
+ @4,*\^15,NH!,?O!,<-24,?5,-2'-5=dl,-2:N,-3:O,-4:/_,-1^-24:/Ph'(2'6:/Cl)
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefalexin;MW:347.3889;EXA:1
@@ -1199,13 +1199,13 @@
CAT:antibiotics;EN:Apramycin;MW:539.58;EXA:1
:
<30,?6,3=?6,2'10:O, at 1,\*,O,60~zb,?6, at 9,\*,O,-60~zb,?6,-5:O,
- {7,13,14',-1',-2}:*/OH,{6',15,17,-3'}:*/NH2,8:*/NH!^-20,
- -4:*/!OH,{3'^-60,4^60}:*/H
+ 7'13'*14'*-1'-2:*/OH,*6'15'17'*-3:*/NH2,8:*/NH!^-20,
+ -4:*/!OH,{*3^-60,4^60}:*/H
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Gentamycin;MW:477.596;EXA:1
:
-<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\*,O,0~zb,?6,-5:O,{2,4,20'}:*/NH2,6:*/OH,
+<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\*,O,0~zb,?6,-5:O,2'4'*20:*/NH2,6:*/OH,
11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:*/?!'NH!
;
%------------------------------------------------------------------------------
@@ -1212,40 +1212,40 @@
CAT:antibiotics;EN:Kanamycin;MW:484.499;EXA:1
:
<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
- 2'4'12:*/NH2,{6',11,13,18,19',20}:/*OH,10:*/!OH,17:*/!NH2
+ 2'4'12:*/NH2,*6'11'13'18'*19,20:/*OH,10:*/!OH,17:*/!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Neomycin;MW:614.644;EXA:1
:
-<30,?6,3:O,2:/*!NH2,{1,6'}:*/OH,5:*/NH2,
+<30,?6,3:O,2:/*!NH2,1'*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,-3'}:*/OH,-4:/*!NH2>60
+ @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2'*-3:*/OH,-4:/*!NH2>60
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Streptmycin;MW:581.574;EXA:1
:
<54,?5,3:O,4:/*_,5:/OH^45, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
- 5:/!dO^-48,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
- {17^-18,19}:*/NH!'?NH'!NH2
+ 5:/!dO^-48,10'*11'15'*16'*18:*/OH,9:/*!OH,12:*/NH!,
+ {17^-18'19}:*/NH!'?NH'!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Streptmycin-H2O;MW:599.574;EXA:-
:
<54,?5,3:O,4:/*_,5:/OH^60, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
- @5,-18,/OH^15,45,OH,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
- {17^-18,19}:*/NH!'?NH'!NH2
+ @5,-18,/OH^15,45,OH,10'*11'15'*16'*18:*/OH,9:/*!OH,12:*/NH!,
+ {17^-18'19}:*/NH!'?NH'!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:dihydro-Streptmycin;MW:583.574;EXA:1
:
<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,
- {10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,{17^-18,19}:*/NH!'?NH'!NH2
+ 10'*11'15'*16'*18:*/OH,9:/*!OH,12:*/NH!,{17^-18'19}:*/NH!'?NH'!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Spectinomycin;MW:332.35;EXA:1
:
-<30,?6,3'9=?6,7=zf,11=wb,7'10'14:O,9^60:*/H,11:?O,{1,5',8^-60}:*/OH,
+<30,?6,3'9=?6,7=zf,11=wb,7'10'14:O,9^60:*/H,11:?O,{1'*5'8^-60}:*/OH,
13:/*_,2'6:*/NH!
;
%------------------------------------------------------------------------------
@@ -1252,22 +1252,22 @@
CAT:antibiotics;EN:Tobramycin;MW:467.51;EXA:1
:
<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
- {2,4,12,20'}:*/NH2,{6',11,13,18}:/*OH,10:*/!OH,17:*/!NH2
+ 2'4'12'*20:*/NH2,*6'11'13'18:/*OH,10:*/!OH,17:*/!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Spiramycin;MW:843.1;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3:?O,6:/*O!>vt,8:/*!'!dO,
+ 12'14=dl,2:O,{1'10^-30}:/*_,5:/*OH,3:?O,6:/*O!>vt,8:/*!'!dO,
@-6,\*^-30,O,!wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
@7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##,
+ @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35'-3}:*/OH,{-2^-35'-4}:/*_,##,
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Neospiramycin;MW:698.9;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- 12'14=dl,2:O,{1,10^-30}:/*_,5:/*OH,3:?O,6:/*O!>vt,8:/*!'!dO,
+ 12'14=dl,2:O,{1'10^-30}:/*_,5:/*OH,3:?O,6:/*O!>vt,8:/*!'!dO,
@-6,\*^-30,O,!wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
@7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-4:*/_,-1'-3:/*OH,##,
;
@@ -1275,9 +1275,9 @@
CAT:antibiotics;EN:Josamycin;MW:827.995;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*_,3:?O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*O!'?O!^-25,8:/*!'!dO,
+ 12'14=dl,2:O,1:/*_,3:?O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*O!'?O!^-25,8:/*!'!dO,
@7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##,
+ @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35'-4}:/*_,##,
@-3,*\,O,60,?O,60,-60,/_,!,
;
%------------------------------------------------------------------------------
@@ -1284,9 +1284,9 @@
CAT:antibiotics;EN:Leucomycin A5;MW:771.942;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*_,3:?O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*OH,8:/*!'!dO,
+ 12'14=dl,2:O,1:/*_,3:?O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*OH,8:/*!'!dO,
@7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##,
+ @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35'-4}:/*_,##,
@-3,*\,O,60,?O,60,-60,60,
;
%------------------------------------------------------------------------------
@@ -1293,9 +1293,9 @@
CAT:antibiotics;EN:Erythromycin;MW:733.93;EXA:1
:
<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1,
- 14:O,13:/*!,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!,##,
+ 14:O,13:/*!,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?!
;
%------------------------------------------------------------------------------
@@ -1312,9 +1312,9 @@
CAT:antibiotics;EN:Spinosad;MW:731.968;EXA:2
:
<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
- 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,
- {-1^35,-2'^-60}:*/H,-2=?5,2:O,{3^25,7^-25}:?O,1:*/!,
- @-2,\*,O,66~zb,?6`.7,-1:O,#.5,-2:*/_,{-3',-4,-5}:*/O!,8:*/_,5^-65:*/H,##,
+ 5=?5,-1=dl,{-2^60'-3^-35}:/*H,-3=?6,-4=dl,
+ {-1^35'*-2^-60}:*/H,-2=?5,2:O,{3^25,7^-25}:?O,1:*/!,
+ @-2,\*,O,66~zb,?6`.7,-1:O,#.5,-2:*/_,{*-3'-4'-5}:*/O!,8:*/_,5^-65:*/H,##,
@9,\*,O,!zb,|,?6`.7,6:O,#.5,5:/*_,4:*/N?!
;
%------------------------------------------------------------------------------
@@ -1322,24 +1322,24 @@
:
<-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60,
60,60,-60,60,-60,60,-60,60,60,-60,&1,##,12--13=?6,
- {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH,
- 18=?3,-1=wb,-2=wf,-1:O,22:?O,24:*/_,{14^60,16}:*/OH,
- @10,*\^15,O,90,?6`.7,-1:O,#.5,{-3,-5'}:*/OH,-4:/*NH2,-2:/*_
+ 2'4'6'8'20=dl,11=zb,23:O,-2:/*OH,-3:*/COOH,
+ 18=?3,-1=wb,-2=wf,-1:O,22:?O,24:*/_,{14^60'16}:*/OH,
+ @10,*\^15,O,90,?6`.7,-1:O,#.5,-3'*-5:*/OH,-4:/*NH2,-2:/*_
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tylocin;MW:916.10;EXA:1
:
<-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:/*_,-6:?O,-3:/_,8:/*!'!dO,
+ 12'14=dl,2:O,1:/*!,5:/*OH,3:?O,10:/*_,6:/*_,-6:?O,-3:/_,8:/*!'!dO,
@-1,*\,-60,O,0~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,-1'-2:/*O!,##,
@7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##,
+ @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35'-3}:*/OH,{-2^-35'-4}:/*_,##,
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tilmicosin;MW:869.133;EXA:1
:
<-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,3'11:?O,6'10:/*_,14:/_,
+ 12'14=dl,2:O,1:/*!,5:/*OH,3'11:?O,6'10:/*_,14:/_,
@-1,*\,-60,O,0~zb,?6`.7,-5:O,#.5,-1'-2:*/O!,-3:*/OH,-4:/*_,##,
@7,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,-1'-3:/*OH,-4:*/_,##,
@8,\*,!2,?6`.7,-6:N,#.5,-2'-4:*/_
@@ -1349,7 +1349,7 @@
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
@8,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- 5'13=dl,15=?3,-2=wf,-1=wb,-1:O,3:O,2:/*!,4'12:?O,{7,9,11'}:*/_,1:/*OH^-80,
+ 5'13=dl,15=?3,-2=wf,-1=wb,-1:O,3:O,2:/*!,4'12:?O,7'9'*11:*/_,1:/*OH^-80,
@1,*\,!,O,!wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,-1'-2:/O!
;
%------------------------------------------------------------------------------
@@ -1356,31 +1356,31 @@
CAT:antibiotics;EN:Chlortetracyclin;MW:478.88;EXA:1
:
<30,Ph,-4'-3'-3=?6,16'19=dl,10'18:?O,7:*/_^-35,2:/Cl,
- {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/?O!'NH2
+ {5'7~zf^35'13~wf^60'14'16}:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Oxytetracyclin;MW:460.434;EXA:1
:
<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:/?O!'NH2
+ {5'7~zf^35'13~wf^60'14'16}:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tetracyclin;MW:444.435;EXA:1
:
<30,Ph,-4'-3'-3=?6,16'19=dl,10'18:?O,7:*/_^-35,
- {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/?O!'NH2
+ {5'7~zf^35'13~wf^60'14'16}:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Doxycyclin;MW:444.43;EXA:1
:
<30,Ph,-4'-3'-3=?6,16'19=dl,10'18:?O,7:*/_,
- {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,17:/?O!'NH2
+ {5'13~wf^60'11~wf'14'16}:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tiamulin;MW:493.74;EXA:1
:
<-45.5,?8,-3=?5, at 8,#.8,-210~zf,/_^60,45,56,##,&6~zb,
- {3^-45,5,8}:*/_, at 3,\*^30,!d,4:/*OH,11:?O,7:*/H^60,
+ {3^-45'5'8}:*/_, at 3,\*^30,!d,4:/*OH,11:?O,7:*/H^60,
@1,15,O!,?O!2,S,60,60,-60,N?2,!2
;
%------------------------------------------------------------------------------
@@ -1389,13 +1389,13 @@
<30,Ph,6:/_^30,5:/OH,-6=?5,-3:O,-8=?6,-2'-4=dl,-1'-4:/OH,
#1, at -2,\,NH,60,-60,60~dl,60,60~dl,-60,
60,-60,60,60,-60,60,-53,66,-53~dl,66`1.2,O,##,&$8,
- ||,9'15:?O,16:/_,{20,24^30}:*/_,21'23:/*OH,{8^60,22,26^30}:/*_,
+ ||,9'15:?O,16:/_,{20'24^30}:*/_,21'23:/*OH,{8^60'22'26^30}:/*_,
-4:/*O!, at -6,-30,O!,?O!,@$11,\,!d,N,!,|,?6,1:N,4:N?
;
%==============================================================================
CAT:pesticide;EN:BHC;MW:290.83;EXA:1
:
-<30,?6,{1,2',3,4,5',6}:*/Cl
+<30,?6,1'*2'3'4'*5'6:*/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:pp-DDT;MW:354.49;EXA:1
@@ -1425,7 +1425,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Acrinathrin;MW:541.45;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_,
+<-30,?3,{2^-35,*2^35}:*/_,
@1,\,!d,!,?O,!O!,/?F?F!F,!,?F?F!F, at 3,\,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
@@ -1487,7 +1487,7 @@
CAT:pesticide;EN:Endrin;MW:380.91;EXA:1
:
<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:Oxadiazon;MW:345.2;EXA:1
@@ -1528,7 +1528,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quitozene;MW:295.3;EXA:1
:
-<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2
+<30,Ph,1'2'3'4'6:/Cl,5:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:1
@@ -1584,7 +1584,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Probenazole;MW:223.25;EXA:1
:
-<12,Ph,3=?5,9=dl,7:S,8:N,{7^35,7^-35}:?O,9:/O!2'!d
+<12,Ph,3=?5,9=dl,7:S,8:N,{7^35'7^-35}:?O,9:/O!2'!d
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Penflufen;MW:317.41;EXA:1
@@ -1604,7 +1604,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Imazosulfuron;MW:412.81;EXA:1
:
-<-11.8,?6,3=?5,{1,5,7,9}=db,4'7:N,8:/Cl,
+<-11.8,?6,3=?5,1'5'7'9=db,4'7:N,8:/Cl,
@-1,\,S?O?O,!NH!,?O,!NH!,Ph,-1'-5:N,-2'-4:/O!
;
%------------------------------------------------------------------------------
@@ -1646,7 +1646,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalothrin;MW:449.86;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/?F?F!F,!Cl,
+<-30,?3,{2^-35'*2^35}:*/_, at 1,\,!d,/?F?F!F,!Cl,
@3,\,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
@@ -1662,7 +1662,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyfluthrin;MW:434.3;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_,
+<-30,?3,{2^-35'*2^35}:*/_,
@1,\,!d,/Cl,!Cl, at 3,\,?O,!O!,/CN,!Ph,-3:/F,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
@@ -1678,7 +1678,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cypermethrin;MW:416.3;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/Cl,!Cl, at 3,\,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
+<-30,?3,{2^-35'*2^35}:*/_, at 1,\,!d,/Cl,!Cl, at 3,\,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Simazine;MW:201.7;EXA:1
@@ -1730,13 +1730,13 @@
CAT:pesticide;EN:Dieldrin;MW:380.895;EXA:1
:
<30,?6`1.2,3=?6,6=dl,9=?3,-1:O, at 2,148~wf`1.4,&5~wb,
- @7,*\^145`1.3,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
+ @7,*\^145`1.3,&10~zb,{1'2'5'6'12^-210'12^-150}:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldrin;MW:364.908;EXA:1
:
<30,?6`1.3,3=?6,6'9=dl,
- @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,11^-210,11^-150}:/Cl
+ @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1'2'5'6'11^-210'11^-150}:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tecnazene;MW:260.879;EXA:1
@@ -1756,12 +1756,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tetradifon;MW:356.038;EXA:1
:
-<30,Ph, at 3,\,S?O?O,!Ph,{6,10,11,13}:/Cl
+<30,Ph, at 3,\,S?O?O,!Ph,6'10'11'13:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thenylchlor;MW:323.835;EXA:1
:
-<6,?5,2'5=dl,4:S,2:/O!, at 3,\,!,N,7:/Ph'(6'2:/_)^-15,!,?O!2,Cl,
+<6,?5,2'5=dl,4:S,2:/O!, at 3,\,!,N,7^-15:/Ph'(6'2:/_),!,?O!2,Cl,
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebuconazole;MW:307.8;EXA:1
@@ -1776,7 +1776,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tefluthrin;MW:418.736;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/?F?F!F,!Cl, at 3,\,?O!,O!2,|,Ph,2'3'5'6:/F,4:/_
+<-30,?3,{2^-35'*2^35}:*/_, at 1,\,!d,/?F?F!F,!Cl, at 3,\,?O!,O!2,|,Ph,2'3'5'6:/F,4:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Terbutryn;MW:241.4;EXA:1
@@ -1851,7 +1851,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bifenthrin;MW:422.88;EXA:-
:
-<-30,?3,{2^-35,2'^35}:*/_,
+<-30,?3,{2^-35'*2^35}:*/_,
@1,\,!d,/Cl,!,?F?F!F, at 3,\,?O,!O!,-60,Ph,-1:/_,-2:/Ph
;
%------------------------------------------------------------------------------
@@ -1913,7 +1913,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenarimol;MW:331.2;EXA:-
:
-<30,Ph, at 3,\,!Ph,4'11:/Cl,7:/OH^30,7:/Ph'(3'5:N)^-30
+<30,Ph, at 3,\,!Ph,4'11:/Cl,7:/OH^30,7^-30:/Ph'(3'5:N)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenothiocarb;MW:253.4;EXA:-
@@ -2118,7 +2118,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpropathrin;MW:349.4;EXA:-
:
-<-30,?3,{1^35,2^-35}:*/_,{1^-35,2^35}:/*_, at 3,\,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
+<-30,?3,{1^35'2^-35}:*/_,{1^-35'2^35}:/*_, at 3,\,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpropimorph;MW:303.49;EXA:1
@@ -2128,7 +2128,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phthalide;MW:271.9;EXA:1
:
-<30,Ph,3=?5,8:O,9:?O,{1,2,5,6}:/Cl
+<30,Ph,3=?5,8:O,9:?O,1'2'5'6:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Butachlor;MW:311.85;EXA:-
@@ -2163,7 +2163,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fludioxonil;MW:248.2;EXA:1
:
-<30,Ph,5=?5,7'9:O,{8^-40,8^40}:/F, at 4,\,|,?5,2'5=dl,-2:NH,-4:/CN
+<30,Ph,5=?5,7'9:O,{8^-40'8^40}:/F, at 4,\,|,?5,2'5=dl,-2:NH,-4:/CN
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flucythrinate;MW:451.5;EXA:1
@@ -2183,8 +2183,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flumioxazin;MW:354.337;EXA:1
:
-<30,Ph,6:/F,3=?6,-1:O,-4:N,-3:?O, at -4,\,!,!t,
- @1,\,|,?5,3=?6,3=dr,1:N,2'5:?O
+<30,Ph,6:/F,3=?6,-1:O,-4:N,-3:?O, at -4,\,!,!t, at 1,\,|,?5,3=?6,3=dr,1:N,2'5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pretilachlor;MW:311.85;EXA:-
@@ -2269,12 +2268,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Heptachlor;MW:373.35;EXA:1
:
-<30,?6`1.3,3=?5,6'8=dl, at 2,210~wf`1.5,&5~wb,{1,2,5,6,9,10^-210,10^-150}:/Cl
+<30,?6`1.3,3=?5,6'8=dl, at 2,210~wf`1.5,&5~wb,{1'2'5'6'9'10^-210'10^-150}:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Permethrin;MW:391.30;EXA:-
:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/Cl,!Cl, at 3,\,?O!,O!2,Ph,-4:/O!'Ph>rl
+<-30,?3,{2^-35'*2^35}:*/_, at 1,\,!d,/Cl,!Cl, at 3,\,?O!,O!2,Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Penconazole;MW:284.184;EXA:-
@@ -2324,7 +2323,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mefenpyr-diethyl;MW:373.23;EXA:-
:
-<18,?5,5=dl,4'5:N,3^65:/_,{1^12,3^-12}:/?O!'O!2, at 4,-24,Ph,-3'-1:/Cl
+<18,?5,5=dl,4'5:N,3^65:/_,{1^12'3^-12}:/?O!'O!2, at 4,-24,Ph,-3'-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mepronil;MW:269.3;EXA:-
@@ -2339,7 +2338,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Resmethrin;MW:338.4;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,?!,3:/?O!'O!2,|,?5,3'5=dl,2:O,3:/!Ph
+<-30,?3,{2^-35'*2^35}:*/_, at 1,\,!d,?!,3:/?O!'O!2,|,?5,3'5=dl,2:O,3:/!Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lenacil;MW:234.3;EXA:-
@@ -2366,7 +2365,7 @@
CAT:pesticide;EN:Endosulfan;MW:406.904;EXA:1
:
<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;EXA:1
@@ -2376,7 +2375,7 @@
%******************************************************************************
CAT:pesticide;EN:Azinphos-methyl;MW:317.318;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!,S!2,|,?6,-3=?6,{2,4,8,10}=dl,1'3:N,6:?O
+<-30,!O!,P,//S,/O!^160,!,S!2,|,?6,-3=?6,2'4'8'10=dl,1'3:N,6:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azoxystorbin;MW:403.394;EXA:1
@@ -2447,7 +2446,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carpropamid;MW:334.665;EXA:-
:
-<-30,?3,1:/_,{2^-35,2'^35}:*/Cl,3^70:/!, at 3,\,?O!,NH,!?!,Ph,-3:/Cl
+<-30,?3,1:/_,{2^-35'*2^35}:*/Cl,3^70:/!, at 3,\,?O!,NH,!?!,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cumyluron;MW:302.802;EXA:-
@@ -2512,7 +2511,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Simeconazole;MW:293.417;EXA:-
:
-<36,?5,1'3'5:N,1'4=dl, at 3,30,!,/OH^30,!2,Si,??!,7:/Ph'(4:/F)^-30,
+<36,?5,1'3'5:N,1'4=dl, at 3,30,!,/OH^30,!2,Si,??!,7^-30:/Ph'(4:/F),
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethirimol;MW:209.29;EXA:-
@@ -2708,12 +2707,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Linuron;MW:249.1;EXA:-
:
-<30,Ph,{1,6}:/Cl, at 3,\,NH!,?O!,N?!,O!
+<30,Ph,1'6:/Cl, at 3,\,NH!,?O!,N?!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lufenuron;MW:511.15;EXA:-
:
-<30,Ph,{2,4}:/F,
+<30,Ph,2'4:/F,
@3,\,?O,!NH!,?O,!NH!,Ph,-1'-4:/Cl, at -3,\,O!,/F^35,/F^-35,!,/F,!,?F?F!F
;
%******************************************************************************
@@ -2729,7 +2728,7 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Chlopidol;MW:192.039;EXA:-
:
-<30,Ph,{1,3}:/_,2:N,4'6:/Cl,5:/OH
+<30,Ph,1'3:/_,2:N,4'6:/Cl,5:/OH
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadiadine;MW:250.276;EXA:-
@@ -2754,7 +2753,7 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Marbofloxacin;MW:362.361;EXA:-
:
-<30,Ph,{3,2--7}=?6,9=dl,6:/F,7'13:N,11:O,9:/COOH,10:?O,13:/_,1:/?6'(1:N)'(4:N?)
+<30,Ph,3'(2--7)=?6,9=dl,6:/F,7'13:N,11:O,9:/COOH,10:?O,13:/_,1:/?6'(1:N)'(4:N?)
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:-
@@ -2769,7 +2768,7 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Ofloxacin;MW:361.373;EXA:-
:
-<30,Ph,{3,2--7}=?6,9=dl,7:N,11:O,
+<30,Ph,3'(2--7)=?6,9=dl,7:N,11:O,
6:/F,9:/COOH,10:?O,13:/_,1:/?6'(1:N)'(4:N?)
;
%------------------------------------------------------------------------------
@@ -2886,7 +2885,7 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Flumequine;MW:261.225;EXA:-
:
-<30,Ph,{3,2--7}=?6,9=dl,7:N,6:/F,9:/COOH,10:?O,13:/_
+<30,Ph,3'(2--7)=?6,9=dl,7:N,6:/F,9:/COOH,10:?O,13:/_
;
%------------------------------------------------------------------------------
34;CAT:antibacterial;EN:Sulfanitran;MW:335.334;EXA:-
@@ -2896,7 +2895,7 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Xylazine;MW:220.334;EXA:-
:
-<30,?6,3=dl,2:S,4:N, at 3,\,NH!,Ph,{-5,-1}:/_
+<30,?6,3=dl,2:S,4:N, at 3,\,NH!,Ph,-5'-1:/_
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Famphur;MW:325.3;EXA:-
@@ -2907,7 +2906,7 @@
CAT:antibacterial;EN:Lincomycin;MW:406.54;EXA:1
:
<6,?5,5:N,5:*/_,2:*/!2,
- @3,\*,?O,!NH!,!wb,?6,-1:O,{-3',-4,-5}:*/OH,-2:/*S!,8:/?!'OH^-30>lr
+ @3,\*,?O,!NH!,!wb,?6,-1:O,*-3'-4'-5:*/OH,-2:/*S!,8:/?!'OH^-30>lr
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:2-acethylamino-5-nitrothiazole;MW:187.178;EXA:-
@@ -2949,8 +2948,8 @@
:
<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,\,!,/*_^-40,*/OH^20,!,?O!,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:/_,{12,31,37'}:*/_,27://_,28:/OH,3'29:/*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:/_,12'31'*37:*/_,27://_,28:/OH,3'29:/*OH
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2
@@ -2957,11 +2956,11 @@
:
<-30,#1,!12,1'3'12=zf,7=wf,60,60,Ph, at -3,\,O,!Ph, at -4,\,O,!Ph, at -3,\,&1,
@7,&26,@$1,60,60,NH,60,-60,Ph, at -1,\,Ph, at -2,&4,##,
- {36,3^40,6,9,12}:?O,2'5'8'11:NH,{1,4^180,7'^-60,10'^60,14'^60,35^-60}:*/H,
- 41'43'46:/OH,{14,35'}:*/OH,{17,34^15}:/Cl,38^180:*/COOH,
+ {36'3^40'6'9'12}:?O,2'5'8'11:NH,{1'4^180'*7^-60'*10^60'*14^60'35^-60}:*/H,
+ 41'43'46:/OH,14'*35:*/OH,{17'34^15}:/Cl,38^180:*/COOH,
@10,*\^-60,60,?O!,NH2, at 13,*\,NH!,?O!,/??!,*/H^60,!z,NH!,
- @23,\,O,!z,|,?6`.7,2:O,3^10:*/!OH,{4',5}:*/OH,
- @-1,\*,O,!wb,|,?6`.7,6:O,{3'^35,5}:*/_,3^-35:/NH2,4:/*OH,
+ @23,\,O,!z,|,?6`.7,2:O,3^10:*/!OH,*4'5:*/OH,
+ @-1,\*,O,!wb,|,?6`.7,6:O,{*3^35'5}:*/_,3^-35:/NH2,4:/*OH,
;
%------------------------------------------------------------------------------
CAT:biological;EN:Maitotoxin;MW:3425.86;EXA:2
@@ -2969,15 +2968,15 @@
<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,
- {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
- {4,14,22,34,39,43,47',57',71',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}:*/_^60`1,{80,88,97,108',115,120,124}:/*_^-60`1,
- @$6,\,|,!11,60~dr,-60,60,OH,{2',7,10}:*/OH,{1,3,8'}:*/_,11://_,12:/_,
+ {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,
+ 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'*47'*57'*71'81'89'98'102'116'121'125'129'133:*/H^60,
+ 6'46'50'53'60'67'74:*/H^-60,
+ 9'18'85'93'112'139'143'147:*/_^60`1,80'88'97'*108'115'120'124:/*_^-60`1,
+ @$6,\,|,!11,60~dr,-60,60,OH,*2'7'10:*/OH,1'3'*8:*/_,11://_,12:/_,
@6,\,O,30,SO3Na,
@$36,-45~zf,O,30,SO3Na,
@$150,\,|,!7,1'2:/*OH,4:*/_,5:/*_,7=dl
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 5.13 Copyright (c) 2013-2024 Akira Yamaji
+% mcf2graph ver 5.14 Copyright (c) 2013-2024 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,
@@ -22,7 +22,7 @@
% This package is located at : http://www.ctan.org/pkg/mcf2graph
% Suggestion or request mail to : mcf2graph at gmail.com
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 5.13 2024.11.10";
+message "* This is mcf2graph ver 5.14 2024.11.17";
tracingstats:=1; prologues:=3; warningcheck:=0;
%-------------------------------------------------------------------------------------------------
newinternal string EN_;
@@ -54,7 +54,7 @@
rw[incr rw_cnt]:=s; lenw[rw_cnt]:=length(s); endfor
%-------------------------------------------------------------------------------------------------
let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =; let ef=elseif;
-let ISP=intersectionpoint; def ]]]=] ] ] enddef; let +++ = ++; let +- = +;
+let ISP=intersectionpoint; def ]]]=] ] ] enddef; let +++ = ++;
%-------------------------------------------------------------------------------------------------
def ext(text t)= sw_ext_all:=1; def EXT_ALL = t enddef; enddef;
def ext_clear= sw_ext_all:=0; def EXT_ALL = enddef; enddef;
@@ -73,7 +73,7 @@
vardef fdr(expr n)(expr s)=
if length(decimal(s))>n: substring (0,n) of decimal(s) else: fsr(n)(decimal(s)) fi enddef;
vardef fdl(expr n)(expr s)= fsl(n)(decimal(s)) enddef;
-vardef Incr suffix $ == $:=$+-1; $ enddef;
+vardef Incr suffix $ == $:=$+1; $ enddef;
%=================================================================================================
default_library:="main_lib.mcf"; default_temp_file:="temp.mcf";
mpfont:="uhvr8r"; atomfont:="draw"; defaultfont:=mpfont;
@@ -131,8 +131,8 @@
def_com(-4090)(_com,_jp_atom,_jp_absA,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_tmp_line,_chg_len,
_get_len,_ring_len,_tmp_len,_rot_ang,_adj_ang,_chg_env,_tmp_env,_set_colorA,_set_colorB,
_group_si,_group_dm,_group_wf,_group_zf,_set_adr,_mk_bond,_set_atom,_arrange_ang,_chg_atom,
- _tmp_rot,_fuse,_size_atom,_numeric,_jump_at,_set_add,_chg_add,_nop,_mark,_moff,_term,_len_s,
- _len_e,_len_ss,_len_ee,_group_s,_group_e,_rest,_charge,_from,_until,
+ _tmp_rot,_fuse,_fuse_di,_size_atom,_numeric,_numeric_inv,_jump_at,_set_add,_chg_add,_nop,
+ _mark,_moff,_term,_len_s,_len_e,_len_ss,_len_ee,_group_s,_group_e,_rest,_charge,_from,_until,
si,dl,dl_,dr,dr_,db,dm,dm_,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,nb,wf_r,wb_r,bd_r,arc_lb,arc_br,
arc_lbr,arc_ltr,si_,wf_,wb_,zf_,zb_,wv_,bd_);
%-------------------------------------------------------------------------------------------------
@@ -255,6 +255,7 @@
%---------------------------------------------------------------------------------------------
restore_par(parameter_list);
endgroup;
+ message EN;
enddef;
%=================================================================================================
def readm(text s)=
@@ -308,13 +309,13 @@
if ex_row>=1: ext(scantokens(ex)) fi
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-vardef define_parts(text t)= pcode_num:=pcode_num+-1; read_mcf(pcode_num)(t); pcode_num enddef;
-vardef abs_adress primary n = if n LT 0:: (n+-360)-4095 else:: n-4095 fi enddef;
+vardef define_parts(text t)= pcode_num:=pcode_num+1; read_mcf(pcode_num)(t); pcode_num enddef;
+vardef abs_adress primary n = if n LT 0:: (n+360)-4095 else:: n-4095 fi enddef;
primarydef a from_until b = (_from,a),(_until,b) enddef;
primarydef a op_quot b = add_parts(a,b) enddef;
-tertiarydef a bond__bond b = (a,b) enddef;
-tertiarydef a bond___bond b = (a+-2000,b) enddef;
-tertiarydef a bond____bond b = (a+-2000,b+-2000) enddef;
+primarydef a bond__bond b = (a,b) enddef;
+primarydef a bond___bond b = (a+2000,b) enddef;
+primarydef a bond____bond b = (a+2000,b+2000) enddef;
tertiarydef a op_equ b = if (known a)and(known b):: change_bond(a,b) else:: _nop fi enddef;
tertiarydef a op_col b = if (known a)and(known b):: change_atom(a,b) else:: _nop fi enddef;
tertiarydef a op_hat b = if known b:: (_tmp_rot,b),a else:: _nop,a fi enddef;
@@ -336,7 +337,7 @@
def read_mcf(expr n)(text t)=
begingroup
if unknown inside_mc::
- save /,//,/*,*/,**,*/*,~,^,`,',<,>,:,=,+,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,
+ save /,//,*,/*,*/,**,*/*,~,^,`,',<,>,:,=,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,
--,---,----,CP,CA,CC,DL,FR,inside_mc;
inside_mc:=1; | :=mark_adress; || :=reset_adress; ##:=reset_length; _:=NO_ATOM;
\:=0; \\:=zero_dm; *\:=zero_wf; \*:=zero_zf; *\*:=zero_wv; let ' == op_quot;
@@ -348,6 +349,7 @@
let FR == fuse_ring_bonds; def DL(expr p)==CA(_set_line,dl,p) enddef;
def CB(expr p)==CP(_mk_bond,p) enddef; def CC(expr p)==CP(_com,p) enddef;
def $ ==abs_adress enddef; def &$ ==&.$ enddef; def { ==read_adress( enddef;
+ def * primary p == (_numeric_inv,p) enddef;
fi
%----------------------------------------------------------------------------------------------
pcode_cnt[n]:=0;
@@ -382,8 +384,8 @@
%-------------------------------------------------------------------------------------------------
vardef read_adress(text t)=
save :,';
- let : == from_until; def ' == +-2000 enddef;
- pcode_int:=pcode_int+-1;
+ let ' == , ; let : == from_until;
+ pcode_int:=pcode_int+1;
nA:=0;
for list==t::
if known list::
@@ -406,7 +408,27 @@
enddef;
%-------------------------------------------------------------------------------------------------
vardef add_parts(expr a,b)=
- if (a LT pcode_emb_start)and(b LT pcode_emb_start)::
+ if (pair a)and(pair b)::
+ pcode_com[Incr pcode_int][1]:=xpart a; pcode_par[pcode_int][1]:=ypart a;
+ pcode_com[Incr pcode_int][2]:=xpart b; pcode_par[pcode_int][2]:=ypart b;
+ pcode_cnt[pcode_int]:=2;
+ elseif pair a::
+ pcode_com[Incr pcode_int][1]:=xpart a; pcode_par[pcode_int][1]:=ypart a;
+ if b>=pcode_emb_start:: pcode_com[pcode_int][2]:=b;
+ else:: pcode_com[pcode_int][2]:=_numeric; pcode_par[pcode_int][2]:=b;
+ fi
+ pcode_cnt[pcode_int]:=2;
+ elseif pair b::
+ if a>=pcode_int_start::
+ pcode_com[a][Incr pcode_cnt[a]]:=xpart b; pcode_par[a][pcode_cnt[a]]:=ypart b;
+ elseif a>=pcode_emb_start::
+ pcode_com[Incr pcode_int][1]:=a;
+ pcode_com[pcode_int][2]:=xpart b; pcode_par[pcode_int][2]:=ypart b; pcode_cnt[pcode_int]:=2;
+ else::
+ pcode_com[Incr pcode_int][1]:=_numeric; pcode_par[pcode_int][1]:=a;
+ pcode_com[pcode_int][2]:=xpart b; pcode_par[pcode_int][2]:=ypart b; pcode_cnt[pcode_int]:=2;
+ fi
+ elseif (a LT pcode_emb_start)and(b LT pcode_emb_start)::
pcode_com[Incr pcode_int][1]:=_numeric; pcode_par[pcode_int][1]:=a;
pcode_com[pcode_int][2]:=_numeric; pcode_par[pcode_int][2]:=b; pcode_cnt[pcode_int]:=2;
elseif (a>=pcode_int_start)and(b LT pcode_int_start)::
@@ -421,7 +443,7 @@
def fuse_ring(expr a,b) =
CP(_jp_bond,a) CP(_rot_ang,180) CP(_get_len,a) CC(_len_s) CP(_chg_len,_ring_len)
for i==1 upto b-2:: CB(360 DIV b) endfor
- CC(_len_e) if a<=0:: CP(_cyc_eB,a-b+-2) else:: CP(_cyc_eB,a) fi
+ CC(_len_e) if a<=0:: CP(_cyc_eB,a-b+2) else:: CP(_cyc_eB,a) fi
enddef;
%-------------------------------------------------------------------------------------------------
def fuse_ring_bonds(expr s,e,b,c) =
@@ -430,31 +452,29 @@
ef b==5:: if c==2:: CP(_chg_len,1.25) CB(80) ef c==3:: CP(_chg_len,1.1) CB(78) CB(72) fi
ef b==4:: CP(_chg_len,1.225) CB(105)
fi
- CC(_len_e) if e<=0:: CP(_cyc_eB,e-c+-1) else:: CP(_cyc_eB,e) fi
+ CC(_len_e) if e<=0:: CP(_cyc_eB,e-c+1) else:: CP(_cyc_eB,e) fi
enddef;
%-------------------------------------------------------------------------------------------------
def fuse_ring_size(expr a,b,c) =
CP(_jp_bond,a) CP(_rot_ang,180) CC(_len_s) CP(_chg_len,c DIV 10)
- if b==5:: CB(72-((c-9) MUL 1.5)) CB(72+-(c-9)) CB(72+-(c-9))
- ef b==6:: CB(60-(c-8)) for i==1 upto 3:: CB(60+-((c-8) DIV 2)) endfor
- ef b==7:: CB(360 DIV 7-(c-8)) for i==1 upto 4:: CB(360 DIV 7+-((c-8) DIV 2.5)) endfor
- ef b==8:: CB(45-(c-8)) for i==1 upto 5:: CB(45+-((c-8) DIV 3)) endfor
+ if b==5:: CB(72-((c-9) MUL 1.5)) CB(72+(c-9)) CB(72+(c-9))
+ ef b==6:: CB(60-(c-8)) for i==1 upto 3:: CB(60+((c-8) DIV 2)) endfor
+ ef b==7:: CB(360 DIV 7-(c-8)) for i==1 upto 4:: CB(360 DIV 7+((c-8) DIV 2.5)) endfor
+ ef b==8:: CB(45-(c-8)) for i==1 upto 5:: CB(45+((c-8) DIV 3)) endfor
fi
- CC(_len_e) if a<=0:: CP(_cyc_eB,a-b+-2) else:: CP(_cyc_eB,a) fi
+ CC(_len_e) if a<=0:: CP(_cyc_eB,a-b+2) else:: CP(_cyc_eB,a) fi
enddef;
%=================================================================================================
vardef change_bond(expr a,b) =
- if known b:: pcode_int:=pcode_int+-1; nC:=0;
+ if known b:: pcode_int:=pcode_int+1; nC:=0;
if numeric b::
if (b>=si)and(b<=bd_)::
if a>=pcode_int_start::
for i==1 upto pcode_cnt[a]::
- if pcode_com[a][i]==_numeric::
- if pcode_par[a][i]<=1800:: CA(_set_line,b,pcode_par[a][i])
- ef b==dl:: CA(_set_line,dr,pcode_par[a][i]-2000)
- ef b==dr:: CA(_set_line,dl,pcode_par[a][i]-2000)
- else:: CA(_set_line,b,pcode_par[a][i]-2000)
- fi
+ if pcode_com[a][i]==_numeric:: CA(_set_line,b,pcode_par[a][i])
+ elseif pcode_com[a][i]==_numeric_inv::
+ if b==dl:: CA(_set_line,dr,pcode_par[a][i])
+ ef b==dr:: CA(_set_line,dl,pcode_par[a][i]) fi
fi
endfor
else:: CP(_set_adr,a) CP(_set_line,b)
@@ -467,7 +487,7 @@
if b==Ph1:: fuse_ring(pcode_par[a][i],6) DL(-2) DL(-4)
ef b==Ph2:: fuse_ring(pcode_par[a][i],6) DL(-1) DL(-3) DL(-5)
ef (b>=?5[11])and(b<=?8[15]):: fuse_ring_size(a,pcode_com[b][1],pcode_par[b][1])
- else:: fuse_ring(pcode_par[a][i],b-?3+-3) fi
+ else:: fuse_ring(pcode_par[a][i],b-?3+3) fi
else::
if b==?6::
if (pcode_com[a][i]<=1800)and(pcode_par[a][i]<=1800)::
@@ -490,7 +510,7 @@
if b==Ph1:: fuse_ring(a,6) DL(-2) DL(-4)
ef b==Ph2:: fuse_ring(a,6) DL(-1) DL(-3) DL(-5)
ef (b>=?5[11])and(b<=?8[15]):: fuse_ring_size(a,pcode_com[b][1],pcode_par[b][1])
- else:: fuse_ring(a,b-?3+-3)
+ else:: fuse_ring(a,b-?3+3)
fi
fi
ef pair a::
@@ -505,13 +525,13 @@
fi
fi
fi
- elseif color b:: cntC:=cntC+-1; color_list[cntC]:=b; CA(_set_colorB,cntC,a) fi
+ elseif color b:: cntC:=cntC+1; color_list[cntC]:=b; CA(_set_colorB,cntC,a) fi
pcode_cnt[pcode_int]:=nC; pcode_int
fi
enddef;
%-------------------------------------------------------------------------------------------------
vardef change_atom(expr a,b)=
- if known b:: pcode_int:=pcode_int+-1; nC:=0;
+ if known b:: pcode_int:=pcode_int+1; nC:=0;
if numeric b::
if (b GT pcode_emb_start)and(b<=pcode_atm_end):: CA(_chg_atom,b,a)
ef b==NH:: CA(_chg_atom,N,a) if sw_expand==0:: CP(_tmp_line,nl) fi
@@ -529,25 +549,22 @@
CC(_group_s)
if a>=pcode_emb_start::
for i==1 upto pcode_cnt[a]::
- if pcode_com[a][i]==_numeric::
- if pcode_par[a][i]<=1800:: CA(xpart(b),ypart(b),pcode_par[a][i])
- ef xpart(b)==_group_wf:: CA(_group_zf,ypart(b),pcode_par[a][i]-2000)
- ef xpart(b)==_group_zf:: CA(_group_wf,ypart(b),pcode_par[a][i]-2000)
- else:: CA(xpart(b),ypart(b),pcode_par[a][i])
- fi
+ if pcode_com[a][i]==_numeric:: CA(xpart(b),ypart(b),pcode_par[a][i])
+ elseif pcode_com[a][i]==_numeric_inv::
+ if xpart(b)==_group_wf:: CA(_group_zf,ypart(b),pcode_par[a][i])
+ ef xpart(b)==_group_zf:: CA(_group_wf,ypart(b),pcode_par[a][i]) fi
else:: CP(pcode_com[a][i],pcode_par[a][i])
fi
endfor
else:: CA(xpart(b),ypart(b),a) fi
CC(_group_e)
- ef color b:: cntC:=cntC+-1; color_list[cntC]:=b; CA(_set_colorA,cntC,a)
+ ef color b:: cntC:=cntC+1; color_list[cntC]:=b; CA(_set_colorA,cntC,a)
fi
pcode_cnt[pcode_int]:=nC; pcode_int
fi
enddef;
%-------------------------------------------------------------------------------------------------
-def pcode_add(expr c,p)=
- nC:=nC+-1; pcode_com[pcode_int][nC]:=c; pcode_par[pcode_int][nC]:=p; enddef;
+def pcode_add(expr c,p)= pcode_com[pcode_int][Incr nC]:=c; pcode_par[pcode_int][nC]:=p; enddef;
def pcode_add_adr(expr c,p,a)=
if a>=pcode_emb_start::
for i==1 upto pcode_cnt[a]::
@@ -1177,7 +1194,7 @@
vardef erase_char(expr s)=
sS:="";
if (length(s)>=4)and(s<>"COOH"):
- for i=1 upto length(s): sC:=subc(i,s); if scan_c(sC,"{}_^+-")=0: sS:=sS&sC; fi endfor sS
+ for i=1 upto length(s): sC:=subc(i,s); if scan_c(sC,"{}_^+")=0: sS:=sS&sC; fi endfor sS
else: s
fi
enddef;
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF metapost souce file example by Akira Yamaji 2024.11.10
+% MCF metapost souce file example by Akira Yamaji 2024.11.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.13
-message "* mcf_template 2024.11.10";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.14
+message "* mcf_template 2024.11.17";
message "";
%------------------------------------------------------------------------------
fsize:=(30mm,20mm);
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 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2024.11.10
+% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2024.11.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.13
+% ** mcf2graph.mf must be version 5.14
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
%-------------------------------------------------------------------------
@@ -29,7 +29,7 @@
Author : Akira Yamaji \quad Date : \today \\
Located at : http://www.ctan.org/pkg/mcf2graph
\end{center}
-{\small *use 'mcf2grapf.mp' ver 5.13 \quad
+{\small *use 'mcf2grapf.mp' ver 5.14 \quad
*typeset with LuaLaTeX \quad
*use molecular library file 'main\_lib.mcf' \\
** FM(fm):molecular formula (calculated) \quad
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 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2024.11.10
+% Molecular Coding Format manual by Akira Yamaji 2024.11.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.13
+% ** mcf2graph.mf must be version 5.14
% ** use main_lib.mcf
% ** typeset by LuaLaTeX(luamplib)
%----------------------------------------------------------------------------
@@ -37,7 +37,7 @@
\author{Akira Yamaji}
\date{\today}
\maketitle
-\begin{center} mcf2graph version 5.13 \end{center}
+\begin{center} mcf2graph version 5.14 \end{center}
\begin{center} Located at http://www.ctan.org/pkg/mcf2graph \end{center}
\begin{center} Suggestion or request mail to: mcf2graph at gmail.com \end{center}
%-----------------------------------------------------------------------------
@@ -98,7 +98,6 @@
\\
\begin{mplibcode}
% L-Glutamic acid
-%%%%%%%beginfigm \(<30,NH2,!~wb,/''(!2,COOH),!,COOH) endfigm
beginfigm \(<30,NH2,!~wb,/!2'COOH,!,COOH) endfigm
% L-Lysine
beginfigm \(<30,NH2,!~wb,/!4'NH2,!,COOH) endfigm
@@ -167,7 +166,7 @@
ratio_chain_ring:=1;
%----------------------------------------------------------------------
\(<15,-30,45,-45,60,$300,$0,
- {1^$15,2^$345,3^$30,4^$345}:/_~dt,{5,6}=vf
+ {1^$15'2^$345'3^$30'4^$345}:/_~dt,5'6=vf
)
++(
defaultscale:=0.5;
@@ -198,7 +197,7 @@
ratio_chain_ring:=1;
%----------------------------------------------------------------------
\(<-30,!6,
- {1^-120,2^60,3^-60,4^60,5^-60,6^60}:/_~dt
+ {1^-120'2^60'3^-60'4^60'5^-60'6^60}:/_~dt
)
++(
defaultscale:=0.5;
@@ -504,8 +503,8 @@
dm_ : duble over line
<30,!8,!,60,90`18,
-{2~si_,4~wf_,6~wb_,8~zf_,10~zb_,
- 12~bd_,14~dl_,16~dr_,18~dm_}:/_`2
+{2~si_'4~wf_'6~wb_'8~zf_'10~zb_'
+ 12~bd_'14~dl_'16~dr_'18~dm_}:/_`2
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -514,8 +513,8 @@
#(75mm,20mm);
ratio_chain_ring:=1;
\(<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)
+ {2~si_'4~wf_'6~wb_'8~zf_'10~zb_'
+ 12~bd_'14~dl_'16~dr_'18~dm_}:/_`2)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -530,7 +529,7 @@
#1.25,-30~wf_r,30~bd_r`1,30~wb_r,
120,O,30,&1,##,#.5,6^$90:/!OH,
- {1^$-90,2^$90,3^$-90,4^$90}:/OH,
+ {1^$-90'2^$90'3^$-90'4^$90}:/OH,
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -537,7 +536,7 @@
beginfigm
#(75mm,16mm);
@(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^$90:/!OH)
+ #.5,{1^$-90'2^$90'3^$-90'4^$90}:/OH,6^$90:/!OH)
defaultscale:=0.6;
@(0.5,0.7)\(0~wf_r) ++(label.lft("wf_r:",A1);)
@(0.5,0.2)\(0~wf) ++(label.lft("wf:",A1);)
@@ -793,8 +792,8 @@
\end{mplibcode}
%-----------------------------------------------------------------------------
\begin{verbatim}
-?6,{-3,-4,-4,-2,-2,-4,-4}=?6
-?6,{4,8,13,20,25,28,33}=?6
+?6,-3'-4'-4'-2'-2'-4'-4=?6
+?6,4'8'13'20'25'28'33=?6
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -802,7 +801,7 @@
#(70mm,20mm) #@(2mm,2mm)
sw_numbering:=Bond;
sw_trimming:=1;
- \(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt)
+ \(<30,?6,-3'-4'-4'-2'-2'-4'-4=?6,4'8'13'20'25'28'33=dt)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -824,7 +823,7 @@
#(75mm,20mm) #@(2mm,2mm)
sw_numbering:=Bond;
##(1,.9)
- @( 0,.5)\(<30,?6,{3,11--4}=?6,11'4=dt,12'15=bd_r)
+ @( 0,.5)\(<30,?6,{3,11--4}=?6,11'4=dt,{12:15}=bd_r)
++(defaultscale:=0.4; label("(1)",p0);)
##(1,.9)
@(.5,.5)\(<30,?6,3=?6,{11--4}=?5,11'4=dt,{12:14}=bd_r)
@@ -843,7 +842,7 @@
16---4=?6 : fuse 3/6 ring to B16..B4
16---4=?5 : fuse 2/5 ring to B16..B4
-1:?6,{3,10,16---4}=?6
+1:?6,3'10'(16---4)=?6
2:?6,3'10=?6,16---4=?5
\end{verbatim}
@@ -866,7 +865,7 @@
21----4=?6 : fuse 2/6 ring to B21..B4
-<-30,?6,{3,10,15,21----4}=?6
+<-30,?6,3'10'15'(21----4)=?6
\end{verbatim}
%-----------------------------------------
@@ -874,7 +873,7 @@
beginfigm
#(60mm,20mm) #@(2mm,2mm)
sw_numbering:=Bond;
- \(<-30,?6,3'10'15=?6,21----4=?6,21'4=dt,22'23=bd_r)
+ \(<-30,?6,3'10'15'(21----4)=?6,21'4=dt,22'23=bd_r)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -976,7 +975,7 @@
\begin{verbatim}
<30,!17,2:/_,3:/!,4:/!2,7:/iPr,
8:/tBu,10:/''(Ph`0.6)^-15,
- {11,12,13'}:*/_,{15,16,17'}:/*_
+ 11'12'*13:*/_,15'16'*17:/*_
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -985,7 +984,7 @@
sw_numbering:=Atom;
numbering_end:=17;
\(<30,!17,2:/_,3:/!,4:/!2,7:/iPr,8:/tBu,10:/''(Ph`0.6)^-15,
- {11,12,13'}:*/_,{15,16,17'}:/*_)
+ 11'12'*13:*/_,15'16'*17:/*_)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -993,7 +992,7 @@
\begin{verbatim}
~,^,` : change type,angle,length
-<30,!6,{2~wf,4~zf,6^-30,8^$120}:/_
+<30,!6,{2~wf'4~zf'6^-30'8^$120}:/_
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -1001,7 +1000,7 @@
#(60mm,18mm) #@(2mm,2mm)
sw_trimming:=1;
sw_numbering:=Atom; numbering_end:=9;
- \(<30,!8`1,{2~wf,4~zf,6^-30,8^$120}:/_)
+ \(<30,!8`1,{2~wf'4~zf'6^-30'8^$120}:/_)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1034,8 +1033,8 @@
>vt : vertical environment
?4,
-{3^-90,3^-30,3^90}:/!3>hz,
-{1^-60,1,1^60}:/!3>vt
+{3^-90'3^-30'3^90}:/!3>hz,
+{1^-60'1'1^60}:/!3>vt
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -1043,8 +1042,8 @@
#(50mm,25mm);
sw_trimming:=1;
ratio_chain_ring:=1;
- \(?4,{3^-90,3^-30,3^90}:/!3>hz,
- {1^-60,1,1^60}:/!3>vt
+ \(?4,{3^-90'3^-30'3^90}:/!3>hz,
+ {1^-60'1'1^60}:/!3>vt
)
++(defaultscale:=0.5; labeloffset:=2bp;
label.rt(">hz",A8);
@@ -1065,8 +1064,8 @@
>rl : right-left environment
<-30,!6,
-{3^-30,3,3^30}:/!3>lr,
-{5^-30,5,5^30}:/!3>rl
+{3^-30'3'3^30}:/!3>lr,
+{5^-30'5'5^30}:/!3>rl
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -1075,8 +1074,8 @@
#(40mm,18mm);
sw_trimming:=0;
\(<-30,!6,
- {3^-30,3,3^30}:/!3>lr,
- {5^-30,5,5^30}:/!3>rl)
+ {3^-30'3'3^30}:/!3>lr,
+ {5^-30'5'5^30}:/!3>rl)
++(defaultscale:=0.5; labeloffset:=2bp;
label.lft(">lr",A11);
label.lft(">lr",A15);
@@ -1115,15 +1114,15 @@
\begin{verbatim}
>{90,-90,...} : rotate 90,-90,...
-<30,!6,6>{90,-90,90,-90,90}:/!5
+<30,!6,6>{90'-90'90'-90'90}:/!5
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
beginfigm
#(60mm,20mm);
- \(<30,!6,6>{90,-90,90,-90,90}:/!5)
+ \(<30,!6,6>{90'-90'90'-90'90}:/!5)
++(defaultscale:=0.5; labeloffset:=2bp;
- label.lft(">{90,-90,90,-90,90}",A13);
+ label.lft(">{90'-90'90'-90'90}",A13);
label.rt(">90",A12);
label.lft(">-90",A11);
label.rt(">90",A10);
@@ -1259,7 +1258,7 @@
beginfigm
#(75mm,12mm) |<(8mm)
sw_numbering:=Atom; numbering_end:=15;
- \(<30,!14,{2,6:10,14}:/_~bd_r`0.5)
+ \(<30,!14,{2'6:10'14}:/_~bd_r`0.5)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -2393,7 +2392,7 @@
B3m..A3+B2up#1.5aw..{A3down}A3;
)
%---------------------------------------
- @(1,0)\(<30,?6,{1,5}=dl,4://NH2)
+ @(1,0)\(<30,?6,1'5=dl,4://NH2)
%---------------------------------------
++(
labeloffset:=.7aw;
@@ -2419,7 +2418,7 @@
drawarrow B3m..A3+B2up#1.5aw..{A3down}A3;
)
%-------------------------------------------
- @(1,0)\(<30,?6,{1,5}=dl,4://NH2)
+ @(1,0)\(<30,?6,1'5=dl,4://NH2)
%-------------------------------------------
++(labeloffset:=.7aw;
label.top(plus,A7);
@@ -2672,10 +2671,10 @@
'`(
%----------------------------------------------------
"#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^$90:/!OH, ",
+ "#.5,{1^$-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 ")
+ "#.5,{2^$90'3^$-90'4^$-90}:/OH,6^$90:/!OH ")
%----------------------------------------------------
#(50mm,20mm) \\
endfigm
@@ -2687,10 +2686,10 @@
'`(
%-------------------------------------------------------
"#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
- "#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
+ "#.5,{1^$-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 ")
+ "#.5,{2^$90'3^$-90'4^$-90}:/OH,6^$90:/!OH ")
%-------------------------------------------------------
#(50mm,20mm) \\
endfigm
@@ -2706,9 +2705,9 @@
%-----------------------------------------------------------------------
"<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!,##, ",
+ " {*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?! ")
%-----------------------------------------------------------------------
\\
@@ -2730,9 +2729,9 @@
%-----------------------------------------------------------------------
"<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!,##, ",
+ " {*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?! ")
%-----------------------------------------------------------------------
\\
@@ -2752,9 +2751,9 @@
'`(
%------------------------------------------------------------------
"?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, ",
+ " 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>rl,12'^-15>lr}:*/O!'?O! ")
+ " @7,\*,O,-45,//O,60,Ph,{11>rl'*12^-15>lr}:*/O!'?O! ")
%------------------------------------------------------------------
#(140mm,30mm)
if \*(mc)=0:
@@ -2773,9 +2772,9 @@
'`(
%-------------------------------------------------------------------
"?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, ",
+ " 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>rl,12'^-15>lr}:*/O!'?O! ")
+ " @7,\*,O,-45,//O,60,Ph,{11>rl'*12^-15>lr}:*/O!'?O! ")
%-------------------------------------------------------------------
#(160mm,40mm)
if \*(mc)=0: @(0, 0.5)\(scantokens(mc))
@@ -2819,12 +2818,12 @@
row[1][4]=";"
row[2][1]="CAT:biological;EN:Lycorine;MW:287.315;EXA:1"
row[2][2]=":"
-row[2][3]="<30,Ph,-4'-2=?6,{6,9--12}=?5,13=dl,8:N,15'17:O,"
-row[2][4]="{9'^180,10^60}:*/H,{13,14'}:*/OH"
+row[2][3]="<30,Ph,-4'-2=?6,6'(9--12)=?5,13=dl,8:N,15'17:O,"
+row[2][4]="{*9^180'10^60}:*/H,13'*14:*/OH"
row[2][5]=";"
row[3][1]="CAT:biological;EN:Morphine;MW:285.343;EXA:1"
row[3][2]=":"
-row[3][3]="<30,Ph,{2,-4}=?6,1---12=?5,-1:O,-1=zb,"
+row[3][3]="<30,Ph,2'-4=?6,1---12=?5,-1:O,-1=zb,"
row[3][4]="@7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH"
row[3][5]=";"
row[4][1]="CAT:biological;EN:Piperine;MW:285.343;EXA:1"
@@ -3247,7 +3246,7 @@
<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,
+ 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
\end{verbatim}
%------------------------------------------------------------------------
@@ -3402,8 +3401,8 @@
"<30,?6,-3'-4=?6, ",
" -5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, ",
" 13'15'17'20:O,3'12'21://O, ",
- " {4~wf^60,8~zf^60,18^35,18^-35}:/_, ",
- " {1^60,5^180,16^60}:/*H, ",
+ " {4~wf^60'8~zf^60'18^35'18^-35}:/_, ",
+ " {1^60'5^180'16^60}:/*H, ",
" @14,\*,|,?5,1'4=dl,3:O ")
%---------------------------------------
\\
@@ -3417,8 +3416,8 @@
#(80mm,50mm)
'`(
%-----------------------------------------
- "<30,?6,3=dl,{3,5^35,5^-35}:/_, ",
- " @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,",
+ "<30,?6,3=dl,{3'5^35'5^-35}:/_, ",
+ " @4,\,|,!18,1'3'5'7'9'11'13'15'17=dr, ",
" 3'7'12'16:/_, ",
" |,?6,6=dl,{6,2^35,2^-35}:/_ ")
%-----------------------------------------
@@ -3433,3 +3432,4 @@
\texttt{\printindex}
%------------------------------------------------------------------------
\end{document}
+}
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf template file mcf_template.mcf by Akira Yamaji 2024.11.10
+% mcf template file mcf_template.mcf by Akira Yamaji 2024.11.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% must use version 5.13
+% must use version 5.14
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
% first character of line ":" start MCF
@@ -22,9 +22,9 @@
%-------------------------------------------------------------------
: %%%%%%% start MCF %%%%%%
?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,
+ 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>rl,12'^-15>lr}:*/O!+?O!
+ @7,\*,O,-45,//O,60,Ph,{11>rl'*12^-15>lr}:*/O!'?O!
%-------------------------------------------------------------------
* %%%%%% start ext(...) %%%%%%
defaultscale:=0.5;
@@ -45,10 +45,10 @@
%-------------------------------------------------------------------
: %%%%%%% start MCF %%%%%%
<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1,
- 14:O,13:/*!,{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!,##,
+ 14:O,13:/*!,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?!
%-------------------------------------------------------------------
* %%%%%% start ext(...) %%%%%%
@@ -67,7 +67,7 @@
ratio_chain_ring:=1;
%-------------------------------------------------------------------
: %%%%%%% start MCF %%%%%%
- ?4,{3^-90,3^-30,3^90}:/!3>hz,{1^-60,1,1^60}:/!3>vt
+ ?4,{3^-90'3^-30'3^90}:/!3>hz,{1^-60'1'1^60}:/!3>vt
%-------------------------------------------------------------------
+ %%%%%% start add(...) %%%%%%
defaultscale:=0.5;
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp 2024-11-17 00:47:18 UTC (rev 72871)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp 2024-11-17 21:16:25 UTC (rev 72872)
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF compile template file by Akira Yamaji 2024.11.10
+% MCF compile template file by Akira Yamaji 2024.11.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.13
-message "* mcf_template 2024.11.10";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.14
+message "* mcf_template 2024.11.17";
message "";
%------------------------------------------------------------------------------
%%%%ext(defaultscale:=.3; label.rt(EN,(0,0));)
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