texlive[58756] Master/texmf-dist: mcf2graph (6apr21)
commits+preining at tug.org
commits+preining at tug.org
Tue Apr 6 00:35:01 CEST 2021
Revision: 58756
http://tug.org/svn/texlive?view=revision&revision=58756
Author: preining
Date: 2021-04-06 00:35:01 +0200 (Tue, 06 Apr 2021)
Log Message:
-----------
mcf2graph (6apr21)
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_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
Added Paths:
-----------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,6 +1,15 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2021-03-21
+ Changelog of mcf2graph software package by Akira Yamaji 2021-04-04
*******************************************************************************
+[ver. 4.62 / 2021-04-04]
+ -add molecular data base file
+ 'mcf_data_base.mcf'
+ -improve function beginfont()
+ able to use molecular data base file
+ -add option parameter sw_file_open
+ -improve function check()
+ -update MCF manual,example
+
[ver. 4.61 / 2021-03-21]
-change syntax
@.$n => @$n
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.61 2021-03-21
+ version : 4.62 2021-04-04
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -17,26 +17,25 @@
2. The distribution of software
( 1) README This file
( 2) CHANGELOG Changelog file of mcf2graph
- ( 3) mcf2graph.mf Macro of Metafont / Metapost
- ( 4) mcf_setup.sty Style file for aux file input
- ( 5) mcf_manual.tex MCF syntax manual(LaTeX file)
+ ( 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
+ ( 6) mcf_manual.tex MCF syntax manual(LaTeX file)
use pk font for proof print
use mps file for final print
make file 'mcf_man_soc-***.mps' before typeset
>mpost -s mcf_man_soc.mf
- ( 6) mcf_man_soc.mf Molecular difinition file for mcf_manual.tex
- ( 7) mcf_manual.pdf PDF of (4) (used pdftex(LaTeX),makeindex)
- ( 8) mcf_example.tex LaTeX example,
+ ( 7) mcf_man_soc.mf Molecular difinition 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
>mpost -s ahlength=1 mcf_exa_soc.mf
- use pk font for proof print
- use mps file for final print
- make file 'mcf_exa_soc-***.mps' before typeset
- >mpost -s mcf_exa_soc.mf
- ( 9) mcf_exa_soc.mf Molecular difinition file for mcf_example.tex
- (10) mcf_example.pdf PDF of (8) typeset with pdftex(LaTeX)
- (11) mcf_mplib_exa.tex luamplib(LuaLaTeX) example
- (12) mcf_mplib_exa.pdf PDF of (11) typeset with LuaTeX(LaTeX)
+ make file 'mcf_exa_soc-***.mps' before typeset
+ >mpost -s mcf_exa_soc.mf
+ (10) mcf_exa_soc.mf Metafont/Metapost souce file for mcf_example.tex
+ (11) mcf_example.pdf PDF of (8) typeset with pdftex(LaTeX)
+ (12) mcf_mplib_exa.tex luamplib(LuaLaTeX) example
+ (13) mcf_mplib_exa.pdf PDF of (11) typeset with LuaTeX(LaTeX)
3. How to use mcf2graph with Metapost
Minimum requirement to run mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp
Added: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf (rev 0)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf 2021-04-05 22:35:01 UTC (rev 58756)
@@ -0,0 +1,783 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% molecular data base file mcf_exa_data.mcf by Akira Yamaji 2021.04.04
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% tag1:var1;tag2:var2;tag3:var3 .....
+% first character of line '%' comment out
+% first character of line '+' begin MCF
+% first character of line '-' end MCF
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%==============================================================================
+% molecular data for mcf_example.tex No.1-155
+%==============================================================================
+EN:Adenine;MW:135.13
++
+<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+-------------------------------------------------------------------------------
+EN:Guanine;MW:151.13
++
+<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2
+-------------------------------------------------------------------------------
+EN:Cytosine;MW:111.10
++
+<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
+-------------------------------------------------------------------------------
+EN:Thymine;MW:126.11
++
+<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
+-------------------------------------------------------------------------------
+EN:Uracil;MW:112.09
++
+<30,?6,6=dl,{3,5}://O,{2,4}:NH
+-------------------------------------------------------------------------------
+EN:Geraniol;MW:154.25
++
+<30,!8,OH,{2,6}=dr,{2,6}:/_
+-------------------------------------------------------------------------------
+EN:Limonene;MW:136.24
++
+<30,?6,2=dl,2:/_, at 5,*\,/_,!!
+-------------------------------------------------------------------------------
+EN:l-Menthol;MW:156.27
++
+<30,?6,2:/*?!,5:*/_,3:*/OH
+-------------------------------------------------------------------------------
+EN:Vanillin;MW:152.15
++
+<30,Ph,2:/OH,3:/O!,5:/CHO
+-------------------------------------------------------------------------------
+EN:Allicin;MW:162.28
++
+<-30,!!,!2,SO,!,S,!2,!!
+-------------------------------------------------------------------------------
+EN:Stearic acid;MW:284.48
++
+<30,!17,COOH
+-------------------------------------------------------------------------------
+EN:Linoleic acid;MW:280.45
++
+<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr
+-------------------------------------------------------------------------------
+EN:Sphingosine;MW:299.50
++
+<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
+-------------------------------------------------------------------------------
+EN:Tocopherol;MW:430.717
++
+<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_
+-------------------------------------------------------------------------------
+EN:Carotene;MW:536.8726
++
+<30,?6,4=dl,3:??,5:/_,
+ @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,?6,-6=dl,-5:/_,-1:??
+-------------------------------------------------------------------------------
+EN:Adrenalin;MW:183.21
++
+<30,Ph,{1,6}:/OH, at 4,\,*/OH,!2,NH,!
+-------------------------------------------------------------------------------
+EN:Caffeine;MW:194.194
++
+<30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!
+-------------------------------------------------------------------------------
+EN:Nicotine;MW:162.23
++
+<30,Ph,2:N, at 4,\,?5,8:N!
+-------------------------------------------------------------------------------
+EN:Capsaicin;MW:305.418
++
+<30,Ph,1:/OH,6:/O!, at 4,\,!,NH,!,//O,!7,?!,-3=dl
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Cholesterol;MW:386.664
++
+<30,?6,{-4,-2}=?6,-4=?5,7=dl,
+ 1:*/OH,{4,12}:*/_^60,10:/*H^180,{11,-1}:/*H^-60,9:*/H^60, at -1,17,/*_,!4,?!
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Resveratrol;MW:228.24
++
+<30,Ph, at 4,\,!!,!,Ph,{2,6,-3}:/OH
+-------------------------------------------------------------------------------
+EN:Glutathione;MW:307.33
++
+<-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH
+-------------------------------------------------------------------------------
+EN:Hexaphenylbenzene;MW:534.6876
++
+<30,Ph,{1,2,3,4,5,6}:/Ph
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:18-Crown-6;MW:264.32
++
+<-180,O,60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,&1
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Arsphenamine x5;MW:915.2
++
+<18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)
+-------------------------------------------------------------------------------
+EN:Melamine;MW:126.12
++
+<30,Ph,{2,4,6}:N,{1,3,5}:/NH2
+-------------------------------------------------------------------------------
+EN:Sudan red 1;MW:248.28
++
+<30,Ph,1=Ph,4:/OH, at 3,\,N,!!,N,!,Ph
+-------------------------------------------------------------------------------
+EN:Basic blue 1;MW:319.86
++
+<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_,@(4.2,1.5),Cl,n_^15
+-------------------------------------------------------------------------------
+EN:Disperse violet 1;MW:238.25
++
+<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2
+-------------------------------------------------------------------------------
+EN:Vat blue 1;MW:262.27
++
+<30,Ph,3=?5, at 8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O
+-------------------------------------------------------------------------------
+EN:Atrazine;MW:215.7
++
+<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!
+-------------------------------------------------------------------------------
+EN:BHC;MW:290.83
++
+<30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl
+-------------------------------------------------------------------------------
+EN:pp-DDT;MW:354.49
++
+<30,Ph,6:/Cl, at 3,\,/CCl3,!,Ph,-3:/Cl
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Acrinathrin;MW:541.45
++
+<-30,?3,2^-35:*/_,2^35:/*_,
+ @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3, at 3,\,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
+-------------------------------------------------------------------------------
+EN:Cafenstrole;MW:350.4
++
+<30,Ph,{2,4,6}:/_, at 3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N, at -2,\,//O,!,N,/!,!2
+-------------------------------------------------------------------------------
+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:/_
+-------------------------------------------------------------------------------
+EN:Carboxin;MW:235.301
++
+<30,?6,3=dl,2:S,5:O,4:/_, at 3,\,//O,!,NH,!,Ph
+-------------------------------------------------------------------------------
+EN:Clomazone;MW:239.7
++
+<30,Ph,2:/Cl, at 3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O
+-------------------------------------------------------------------------------
+EN:Halfenprox;MW:477.4
++
+<30,Ph, at 6,\,O,!,/F^35,/F^-35,!,Br, at 3,\,!,??,!,O,!,!,Ph, at -2,\,O,60,Ph
+-------------------------------------------------------------------------------
+EN:Paraquat;MW:257.16
++
+Ph, at 4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90,@(5,1),Cl,n_^15,@(-0.5,1),Cl,n_^15
+-------------------------------------------------------------------------------
+EN:Picolinafen;MW:376.331
++
+<30,Ph,5:/CF3, at 3,\,O,!,|,Ph,2:N, at 3,\,//O,!,NH,!,|,Ph,4:/F
+-------------------------------------------------------------------------------
+EN:Quinoxyfen;MW:308.13
++
+<30,Ph,4=Ph,10:N,{2,6}:/Cl, at 7,\,O,!,|,Ph,4:/F
+-------------------------------------------------------------------------------
+EN:Quitozene;MW:295.3
++
+<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2
+-------------------------------------------------------------------------------
+EN:Bitertanol;MW:337.4
++
+<30,Ph, at 3,\,Ph, at -3,\,O,!2,/OH,!,??!, at 14,\,|,?5,{2,4}=dl,{1,2,4}:N
+-------------------------------------------------------------------------------
+EN:Bifenox;MW:342.14
++
+<30,Ph,{4,6}:/Cl, at 3,\,O,!,Ph,-4:/COO!,-3:/NO2
+-------------------------------------------------------------------------------
+EN:Simeconazole;MW:293.417
++
+<36,?5,{1,3,5}:N,{1,4}=dl, at 3,30,!,/OH^30,!2,Si,/_,/_^60,!, at 7,-30,Ph,-3:/F
+-------------------------------------------------------------------------------
+EN:Fenamidone;MW:311.403
++
+<18,?5,4=dl,{3,5}:N,2://O, at 3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph
+-------------------------------------------------------------------------------
+EN:Fenpyroximate;MW:421.49
++
+<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me, at 3,\^-15,O,!,Ph,
+ @4,\,!~dr,N,!,O,!2,|,Ph, at 4,\,//O,-60,O,!4
+-------------------------------------------------------------------------------
+EN:Chlorsulron;MW:380.648
++
+<30,Ph,6:/NH2, at 1,\,SOO,!,NH2, at 3,\,SOO,!,NH2, at 4,\,/Cl,60~dl,/Cl,!,Cl
+-------------------------------------------------------------------------------
+EN:Enrofloxacin;MW:359.401
++
+<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,1:N,4:N,4:/!
+-------------------------------------------------------------------------------
+EN:Fenitrothion;MW:277.23
++
+<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Flumequine;MW:261.225
++
+<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_
+-------------------------------------------------------------------------------
+EN:Imazalil;MW:297.2
++
+<-30,!2,O,!2,!~dr, at 1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl
+-------------------------------------------------------------------------------
+EN:Imidacloprid;MW:255.662
++
+<30,Ph,1:N,6:/Cl, at 3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)
+-------------------------------------------------------------------------------
+EN:Kresoxim-Methyl;MW:313.348
++
+<30,Ph, at 3,\,/COO!,!~dr,N,!,O,!, at 4,\,!,O,!,Ph,-1:/_
+-------------------------------------------------------------------------------
+EN:Nalidixic acid;MW:232.239
++
+<30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2
+-------------------------------------------------------------------------------
+EN:Oryzalin;MW:346.4
++
+<30,Ph,{1,3}:/NO2, at 5,\,SOO,!,NH2, at 2,\,/!2,N,!3
+-------------------------------------------------------------------------------
+EN:Oxadiazon;MW:345.2
++
+<30,Ph,{4,6}:/Cl,1:/O!?!, at 3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
+-------------------------------------------------------------------------------
+EN:Oxadixyl;MW:278.3
++
+<30,Ph,{2,4}:/_, at 3,\,N,!1,//O,!2,O,!, at 7,\,|,?5,1:N,2:O,5://O
+-------------------------------------------------------------------------------
+EN:Oxyfluorfen;MW:361.701
++
+<30,Ph,6:/CF3,4:/Cl, at 3,\,O,!,Ph,-3:/NO2, at -4,\,O,!2
+-------------------------------------------------------------------------------
+EN:Sulfadimidine;MW:278.33
++
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_
+-------------------------------------------------------------------------------
+EN:Sulfamerazine;MW:264.303
++
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_
+-------------------------------------------------------------------------------
+EN:Sulfadoxine;MW:310.328
++
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!
+-------------------------------------------------------------------------------
+EN:Sulfamethoxazole;MW:253.276
++
+<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_
+-------------------------------------------------------------------------------
+EN:Thiamethoxam;MW:291.71
++
+<30,?6,4:N,2:O,6:N!,5://'(N,!,NO2), at 4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl
+-------------------------------------------------------------------------------
+EN:Thiamphenicol;MW:355
++
+<30,Ph, at 1,\,SOO,!, at 4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl
+-------------------------------------------------------------------------------
+EN:Pyridaphenthion;MW:340.334
++
+<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph
+-------------------------------------------------------------------------------
+EN:Permethrin;MW:391.288
++
+<-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl), at 3,\,//O,!,O,!2,|,Ph, at 3,\,O,-60,Ph
+-------------------------------------------------------------------------------
+EN:Isoprothiolane;MW:290.392
++
+<-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!
+-------------------------------------------------------------------------------
+EN:Oxine-Copper;MW:351.852
++
+Ph,4:N,5=Ph, at -4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, at 4,&12~vf, at 23,&12~vf
+-------------------------------------------------------------------------------
+EN:Tetraconazole;MW:372.145
++
+<-6,?5,{2,5}=dl,{1,2,4}:N, at 4,\,!3,O,!,/F^35,/F^-35,!,CF2, at 7,\,|,Ph,{4,6}:/Cl
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Uniconazole-P;MW:291.779
++
+<30,Ph,6:/Cl, at 3,\,!~dl,!,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+-------------------------------------------------------------------------------
+EN:Oxadiargyl;MW:341.19
++
+<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!), at 4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
+-------------------------------------------------------------------------------
+EN:Oxaziclomefone;MW:376.277
++
+<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph, at 4,\,??,!,|,Ph,{3,5}:/Cl
+-------------------------------------------------------------------------------
+EN:Trimetoprim;MW:290.323
++
+<30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,{3,4,5}:/O!
+-------------------------------------------------------------------------------
+EN:Ciprofloxacin;MW:331.347
++
+<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,1:N,4:NH
+-------------------------------------------------------------------------------
+EN:Danofloxacin;MW:357.385
++
+<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,
+ @1,\,|,?6, at 2,-200`1.1,&5,{1,4}:N,4:*/_
+-------------------------------------------------------------------------------
+EN:Marbofloxacin;MW:362.361
++
+<30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!,
+ @1,\,|,?6,1:N,4:N!
+-------------------------------------------------------------------------------
+EN:Ofloxacin;MW:361.373
++
+<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_,
+ @1,\,|,?6,{1,4}:N,4:/_
+-------------------------------------------------------------------------------
+EN:Ormetoprim;MW:274.324
++
+<30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,2:/_,{4,5}:/O!
+-------------------------------------------------------------------------------
+EN:Amoxicillin;MW:365.4042
++
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH
+-------------------------------------------------------------------------------
+EN:Ampicillin;MW:349.405
++
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH,!,//O,!,/*NH2,!,Ph
+-------------------------------------------------------------------------------
+EN:Benzyl-Penicillin;MW:334.4
++
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH,!,//O,!,!,Ph
+-------------------------------------------------------------------------------
+EN:Mecillinam;MW:325.4264
++
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,N,!!,!,?7,-7:N
+-------------------------------------------------------------------------------
+EN:Nafcillin;MW:414.4748
++
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2
+-------------------------------------------------------------------------------
+EN:Oxacillin;MW:401.4363
++
+<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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Cefalexin;MW:347.3889
++
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,6:/_,
+ @4,*\^15,NH,!,//O,!,*/NH2,!,Ph
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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!)
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Streptmycin;MW:581.574
++
+<54,?5,3:O,4:/*_,5:/OH^35, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
+ @5,\^-48,!!,O,{10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
+ @17,*\^-18,NH,!,//NH,!,NH2, at 19,*\,NH,!,//NH,!,NH2
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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!
+-------------------------------------------------------------------------------
+EN:Spinosad;MW:731.968
++
+<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}:*/H,{-2^-60}:/*H,-2=?5,2:O,{3^25,7^-25}://O,1:/!,
+ @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!,8~wf:/Me,5^-65~wf:/H,
+ @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?!
+-------------------------------------------------------------------------------
+EN:Spiramycin;MW:843.1
++
+<-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,
+ @-6,\*^-30,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
+ @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,
+ @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,
+ @8,\*,!,!!,O
+-------------------------------------------------------------------------------
+EN:Natamycin;MW:665.733
++
+<-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[4],##,
+ {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,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_
+-------------------------------------------------------------------------------
+EN:Tylocin;MW:916.10
++
+<-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:/_,
+ @-1,*\,-60,O,0~wb,?6`.7,-5:O,-3:/*OH,-4:*/_,{-1,-2}:/*O!,
+ @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,
+ @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,
+ @8,\*,!,!!,O
+-------------------------------------------------------------------------------
+EN:Tilmicosin;MW:869.133
++
+<-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:/_,
+ @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_,
+ @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_,
+ @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_
+-------------------------------------------------------------------------------
+EN:Chlortetracyclin;MW:478.88
++
+<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:/CONH2
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Tetracyclin;MW:444.435
++
+<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:/CONH2
+-------------------------------------------------------------------------------
+EN:Doxycyclin;MW:444.43
++
+<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_,
+ {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!, at 17,\,//O,!,NH2
+-------------------------------------------------------------------------------
+EN:Tiamulin;MW:493.74
++
+<-45.5,?8,-3=?5, at 8,#.8,-210~zf,/_^60,45,56,##,&6~zb,
+ {3^-45,5,8}:*/_, at 3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60,
+ @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60
+-------------------------------------------------------------------------------
+EN:Rifampicin;MW:822.94
++
+<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,|,-8=?6,{2,4}=dl,{1,4}:/OH,
+ #1, at -2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
+ */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
+ 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8),
+ -4:/*O!, at -6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N!
+-------------------------------------------------------------------------------
+EN:Trenbolone;MW:270.37
++
+<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60
+-------------------------------------------------------------------------------
+EN:Luciferin;MW:280.33
++
+<30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH
+-------------------------------------------------------------------------------
+EN:Chlorophyll a;MW:893.509
++
+<-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:/!!,25:/*COO!,26://O,
+ @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
+-------------------------------------------------------------------------------
+EN:Quercetin;MW:302.24
++
+<30,Ph,3=?6, at 9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH
+-------------------------------------------------------------------------------
+EN:Limonin;MW:470.518
++
+<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:??,{1^60,5^180,16^60}:/*H,
+ @14,\*,|,?5,{1,4}=dl,3:O
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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!
+-------------------------------------------------------------------------------
+EN:Acronycine;MW:321.376
++
+<30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??
+-------------------------------------------------------------------------------
+EN:Piperine;MW:285.343
++
+<30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N
+-------------------------------------------------------------------------------
+EN:Febrifugine;MW:301.346
++
+<30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Warfarin;MW:308.333
++
+<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O, at 8,\,/Ph`1,60,!,//O,!
+-------------------------------------------------------------------------------
+EN:Genistein;MW:270.24
++
+<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O, at 8,\,Ph,-3:/OH
+-------------------------------------------------------------------------------
+EN:Baicalein;MW:270.24
++
+<30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O, at 8,\,Ph
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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,*\,/_,!!
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Oseltamivir;MW:312.40
++
+<30,?6,3=dl,6:*/NH2, at 1,\*,NH,!,//O,!, at 2,*\,O,!,/!,!2, at 4,\,//O,!,O,!2
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Sesamine;MW:354.35
++
+<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12
+-------------------------------------------------------------------------------
+EN:Morphine;MW:285.343
++
+<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Atoropin;MW:289.375
++
+<30,O,!,//O,!,!,Ph,@$1,\~zb^-60,|,?7`1.1, at 6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv
+-------------------------------------------------------------------------------
+EN:Colchicine;MW:399.443
++
+<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Ibotenic acid;MW:158.113
++
+<18,?5,4=dl,3:O,2:NH,1://O, at 4,-24,/NH2,!,COOH
+-------------------------------------------------------------------------------
+EN:illudin S;MW:264.3
++
+<30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_,
+ {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35
+-------------------------------------------------------------------------------
+EN:Muscarine;MW:174.26
++
+<18,?5,2:O,1:*/_,5:/*OH, at 3,*\,48,N,??,p_^180,!
+-------------------------------------------------------------------------------
+EN:Psilocybin;MW:284.248
++
+<30,Ph,3=?5,8=dl,9:NH, at 2,\,O,-60,P,//O^-45,/OH^45,90,OH, at 7,\,!,-60,N?!
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+EN:Aflatoxin B1;MW:312.27
++
+<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
+-------------------------------------------------------------------------------
+%==============================================================================
+% other molecular data
+%==============================================================================
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
+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
+-------------------------------------------------------------------------------
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.03.21
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.04.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.61
-message "* mcf_exa_soc 2021.03.21";
+input mcf2graph.mf; %%% it must be version 4.62
+message "* mcf_exa_soc 2021.04.04";
message "";
%------------------------------------------------------------------------------
fsize:=(35mm,24mm);
@@ -13,7 +13,7 @@
%%%%sw_aframe:=1;
%%%%sw_mframe:=1;
%%%%sw_expand:=1;
-tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
+tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
%%%%tag5:="mi";
%%%%tag6:="w1";
%%%%tag7:="h1";
@@ -29,936 +29,34 @@
%%%% for i=nA step nA until w: draw(i,0)--(i,h); endfor
%%%% for i=nA step nA until h: draw(0,i)--(w,i); endfor );
%------------------------------------------------------------------------------
-%%%% ext(defaultfont:="uhvr8r"; defaultscale:=.3; label.lrt(mc,(-2bp,1.5bp));)
+%%ext(defaultfont:="uhvr8r"; defaultscale:=.6; label.lrt(inf_EN,(-2bp,1.5bp));)
%******************************************************************************
-beginfont("EN:Adenine","MW:135.13","FM:C5H5N5",
- ": <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH")
+beginfont("f:mcf_data_base","t:EN","v:Adenine") % select EN=Adenine
if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
-beginfont("EN:Guanine","MW:151.13",
- ": <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2")
+beginfont("f:mcf_data_base","t:EN","v:Guanine") % select EN=Guanine
if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
-beginfont("EN:Cytosine","MW:111.10",
- ": <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2")
+beginfont("f:mcf_data_base","t:EN","v:Cytosine") % select EN=Cytosine
if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
-beginfont("EN:Thymine","MW:126.11",
- ": <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_")
+beginfont("f:mcf_data_base","t:EN","v:Thymine") % select EN=Thymine
if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
-beginfont("EN:Uracil","MW:112.09",
- ": <30,?6,6=dl,{3,5}://O,{2,4}:NH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
+sw_file_open:=1; % keep file open
%******************************************************************************
-beginfont("EN:Geraniol","MW:154.25",
- ": <30,!8,OH,{2,6}=dr,{2,6}:/_")
+beginfont("f:mcf_data_base","t:n","v:5") % v:5 select No.5
if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
-beginfont("EN:Limonene","MW:136.24",
- ": <30,?6,2=dl,2:/_, at 5,*\,/_,!!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
+for i=6 upto 155: % No.6 - No.155
+ beginfont("f:mcf_data_base","t:n","v:0") % v:0 no selection
+ if check(mc)=0: MC(scantokens(mc)) fi
+ endfont
+endfor
%******************************************************************************
-beginfont("EN:l-Menthol","MW:156.27",
- ": <30,?6,2:/*?!,5:*/_,3:*/OH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Vanillin","MW:152.15",
- ": <30,Ph,2:/OH,3:/O!,5:/CHO")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Allicin","MW:162.28",
- ": <-30,!!,!2,SO,!,S,!2,!!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Stearic acid","MW:284.48",
- ": <30,!17,COOH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Linoleic acid","MW:280.45",
- ": <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Sphingosine","MW:299.50",
- ": <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Tocopherol","MW:430.717",
- ": <30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Carotene","MW:536.8726",
- ": <30,?6,4=dl,3:??,5:/_, ",
- ": @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_, ",
- ": ?6,-6=dl,-5:/_,-1:?? ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Adrenalin","MW:183.21",
- ": <30,Ph,{1,6}:/OH, at 4,\,*/OH,!2,NH,!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Caffeine","MW:194.194",
- ": <30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Nicotine","MW:162.23",
- ": <30,Ph,2:N, at 4,\,?5,8:N!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("EN:Capsaicin","MW:305.418",
- ": <30,Ph,1:/OH,6:/O!, at 4,\,!,NH,!,//O,!7,?!,-3=dl")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("EN:Cholesterol","MW:386.664",
- ": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ",
- ": 1:*/OH,{4,12}:*/_^60, ",
- ": 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60, at -1,17,/*_,!4,?! ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Resveratrol","MW:228.24",
- ": <30,Ph, at 4,\,!!,!,Ph,{2,6,-3}:/OH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Glutathione","MW:307.33",
- ": <-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Hexaphenylbenzene","MW:534.6876",
- ": <30,Ph,{1,2,3,4,5,6}:/Ph")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:18-Crown-6","MW:264.32",
- ": <-180,O,60,60,60,O,-60,60,60,O,-60,60,60, ",
- ": O,-60,60,60,O,-60,60,60,O,-60,60,&1 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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, ",
- ": @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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Arsphenamine x5","MW:915.2",
- ": <18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Melamine","MW:126.12",
- ": <30,Ph,{2,4,6}:N,{1,3,5}:/NH2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Sudan red 1","MW:248.28",
- ": <30,Ph,1=Ph,4:/OH, at 3,\,N,!!,N,!,Ph")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Basic blue 1","MW:319.86",
- ": <30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_, ",
- ": @(4.2,1.5),Cl,n_^15 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Disperse violet 1","MW:238.25",
- ": <30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Vat blue 1","MW:262.27",
- ": <30,Ph,3=?5, at 8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Atrazine","MW:215.7",
- ": <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:BHC","MW:290.83",
- ": <30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:pp-DDT","MW:354.49",
- ": <30,Ph,6:/Cl, at 3,\,/CCl3,!,Ph,-3:/Cl")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Acrinathrin","MW:541.45",
- ": <-30,?3,2^-35:*/_,2^35:/*_, ",
- ": @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3, at 3,\,//O,!,O,!,/CN,!,Ph, ",
- ": @-4,\,O,-60,Ph ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Cafenstrole","MW:350.4",
- ": <30,Ph,{2,4,6}:/_, at 3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N, at -2,\,//O,!,N,/!,!2 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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:/_ ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Carboxin","MW:235.301",
- ": <30,?6,3=dl,2:S,5:O,4:/_, at 3,\,//O,!,NH,!,Ph")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Clomazone","MW:239.7",
- ": <30,Ph,2:/Cl, at 3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Halfenprox","MW:477.4",
- ": <30,Ph, at 6,\,O,!,/F^35,/F^-35,!,Br, at 3,\,!,??,!,O,!,!,Ph, at -2,\,O,60,Ph")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Paraquat","MW:257.16",
- ": Ph, at 4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90, ",
- ": @(5,1),Cl,n_^15,@(-0.5,1),Cl,n_^15 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Picolinafen","MW:376.331",
- ": <30,Ph,5:/CF3, at 3,\,O,!,|,Ph,2:N, at 3,\,//O,!,NH,!,|,Ph,4:/F")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Quinoxyfen","MW:308.13",
- ": <30,Ph,4=Ph,10:N,{2,6}:/Cl, at 7,\,O,!,|,Ph,4:/F")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Quitozene","MW:295.3",
- ": <30,Ph,{1,2,3,4,6}:/Cl,5:/NO2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Bitertanol","MW:337.4",
- ": <30,Ph, at 3,\,Ph, at -3,\,O,!2,/OH,!,??!, at 14,\,|,?5,{2,4}=dl,{1,2,4}:N")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Bifenox","MW:342.14",
- ": <30,Ph,{4,6}:/Cl, at 3,\,O,!,Ph,-4:/COO!,-3:/NO2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Simeconazole","MW:293.417",
- ": <36,?5,{1,3,5}:N,{1,4}=dl, ",
- ": @3,30,!,/OH^30,!2,Si,/_,/_^60,!, at 7,-30,Ph,-3:/F ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Fenamidone","MW:311.403",
- ": <18,?5,4=dl,{3,5}:N,2://O, at 3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Fenpyroximate","MW:421.49",
- ": <-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me, at 3,\^-15,O,!,Ph, ",
- ": @4,\,!~dr,N,!,O,!2,|,Ph, at 4,\,//O,-60,O,!4 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Chlorsulron","MW:380.648",
- ": <30,Ph,6:/NH2, at 1,\,SOO,!,NH2, at 3,\,SOO,!,NH2, at 4,\,/Cl,60~dl,/Cl,!,Cl")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Enrofloxacin","MW:359.401",
- ": <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,1:N,4:N,4:/!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Fenitrothion","MW:277.23",
- ": <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Flumequine","MW:261.225",
- ": <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Imazalil","MW:297.2",
- ": <-30,!2,O,!2,!~dr, at 1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Imidacloprid","MW:255.662",
- ": <30,Ph,1:N,6:/Cl, at 3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Kresoxim-Methyl","MW:313.348",
- ": <30,Ph, at 3,\,/COO!,!~dr,N,!,O,!, at 4,\,!,O,!,Ph,-1:/_")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Nalidixic acid","MW:232.239",
- ": <30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Oryzalin","MW:346.4",
- ": <30,Ph,{1,3}:/NO2, at 5,\,SOO,!,NH2, at 2,\,/!2,N,!3")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Oxadiazon","MW:345.2",
- ": <30,Ph,{4,6}:/Cl,1:/O!?!, at 3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Oxadixyl","MW:278.3",
- ": <30,Ph,{2,4}:/_, at 3,\,N,!1,//O,!2,O,!, at 7,\,|,?5,1:N,2:O,5://O")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Oxyfluorfen","MW:361.701",
- ": <30,Ph,6:/CF3,4:/Cl, at 3,\,O,!,Ph,-3:/NO2, at -4,\,O,!2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Sulfadimidine","MW:278.33",
- ": <30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Sulfamerazine","MW:264.303",
- ": <30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Sulfadoxine","MW:310.328",
- ": <30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Sulfamethoxazole","MW:253.276",
- ": <30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Thiamethoxam","MW:291.71",
- ": <30,?6,4:N,2:O,6:N!,5://'(N,!,NO2), at 4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Thiamphenicol","MW:355",
- ": <30,Ph, at 1,\,SOO,!, at 4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Pyridaphenthion","MW:340.334",
- ": <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Permethrin","MW:391.288",
- ": <-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl), ",
- ": @3,\,//O,!,O,!2,|,Ph, at 3,\,O,-60,Ph ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Isoprothiolane","MW:290.392",
- ": <-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Oxine-Copper","MW:351.852",
- ": Ph,4:N,5=Ph, at -4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, ",
- ": @4,&12~vf, at 23,&12~vf ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Tetraconazole","MW:372.145",
- ": <-6,?5,{2,5}=dl, ",
- ": {1,2,4}:N, at 4,\,!3,O,!,/F^35,/F^-35,!,CF2, at 7,\,|,Ph,{4,6}:/Cl ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("EN:Uniconazole-P","MW:291.779",
- ": <30,Ph,6:/Cl, at 3,\,!~dl,!,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Oxadiargyl","MW:341.19",
- ": <30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!), at 4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Oxaziclomefone","MW:376.277",
- ": <30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph, at 4,\,??,!,|,Ph,{3,5}:/Cl")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Trimetoprim","MW:290.323",
- ": <30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,{3,4,5}:/O!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Ciprofloxacin","MW:331.347",
- ": <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,1:N,4:NH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Danofloxacin","MW:357.385",
- ": <30,Ph,-4=?6,9=dl,7:N, ",
- ": 6:/F,7:/?3,9:/COOH,10://O, ",
- ": @1,\,|,?6, at 2,-200`1.1,&5,{1,4}:N,4:*/_ ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Marbofloxacin","MW:362.361",
- ": <30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!, ",
- ": @1,\,|,?6,1:N,4:N! ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Ofloxacin","MW:361.373",
- ": <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_, ",
- ": @1,\,|,?6,{1,4}:N,4:/_ ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Ormetoprim","MW:274.324",
- ": <30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,2:/_,{4,5}:/O!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Amoxicillin","MW:365.4042",
- ": <45,?4,-3=?5,2:N,7:S, ",
- ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
- ": @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Ampicillin","MW:349.405",
- ": <45,?4,-3=?5,2:N,7:S, ",
- ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
- ": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Benzyl-Penicillin","MW:334.4",
- ": <45,?4,-3=?5,2:N,7:S, ",
- ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
- ": @4,*\^15,NH,!,//O,!,!,Ph ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Mecillinam","MW:325.4264",
- ": <45,?4,-3=?5,2:N,7:S, ",
- ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
- ": @4,*\^15,N,!!,!,?7,-7:N ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Nafcillin","MW:414.4748",
- ": <45,?4,-3=?5,2:N,7:S, ",
- ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
- ": @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Oxacillin","MW:401.4363",
- ": <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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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:/_, ",
- ": @-1,\^-24,Ph,-5:/Cl ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Cefalexin","MW:347.3889",
- ": <45,?4,-3=?6,-4=dl,2:N,8:S, ",
- ": 3^45:/*H,1://O^15,5:/*COOH,6:/_, ",
- ": @4,*\^15,NH,!,//O,!,*/NH2,!,Ph ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Cefuroxime","MW:424.3852")
- MC(<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,
- @6,\,!,O,!,//O,!,NH2)
-endfont
-%******************************************************************************
-beginfont("EN:Apramycin","MW:539.58")
- MC(<30,?6,-4=?6,{2,10}:O,
- @1,\*,O,60~zb,?6,
- @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)
-endfont
-%******************************************************************************
-beginfont("EN:Gentamycin","MW:477.596")
- MC(<-30,?6,
- @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!))
-endfont
-%******************************************************************************
-beginfont("EN:Kanamycin","MW:484.499")
- MC(<-30,?6,
- @1,\*,O,0~zb,?6,-5:O,
- @5,\,O,0,?6,-5:O,
- {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2)
-endfont
-%******************************************************************************
-beginfont("EN:DihydroStreptmycin","MW:583.574")
- MC(<54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35,
- @1,\*,O,-24~wb,?6,-5:O,
- @2,*\,O,24~zb,?6,
- {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
- @17,*\^-18,NH,!,//NH,!,NH2,
- @19,*\,NH,!,//NH,!,NH2)
-endfont
-%******************************************************************************
-beginfont("EN:Fradiomycin","MW:614.644")
- MC(<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)
-endfont
-%******************************************************************************
-beginfont("EN:Streptmycin","MW:581.574")
- MC(<54,?5,3:O,4:/*_,5:/OH^35,
- @1,\*,O,-24~wb,?6,-5:O,
- @2,*\,O,24~zb,?6,
- @5,\^-48,!!,O,{10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
- @17,*\^-18,NH,!,//NH,!,NH2,
- @19,*\,NH,!,//NH,!,NH2)
-endfont
-%******************************************************************************
-beginfont("EN:Neospiramycin","MW:698.9")
- MC(<-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,
- @8,\*,!,!!,O)
-endfont
-%******************************************************************************
-beginfont("EN:Emamectine","MW:886.133")
- MC(<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!)
-endfont
-%******************************************************************************
-beginfont("EN:Spinosad","MW:731.968",
- ": <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}:*/H,{-2^-60}:/*H,-2=?5, ",
- ": 2:O,{3^25,7^-25}://O,1:/!, ",
- ": @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!, ",
- ": 8~wf:/Me,5^-65~wf:/H, ",
- ": @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?! ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Spiramycin","MW:843.1",
- ": <-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, ",
- ": @-6,\*^-30,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_, ",
- ": @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, ",
- ": @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, ",
- ": @8,\*,!,!!,O ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Natamycin","MW:665.733",
- ": <-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[4],##, ",
- ": {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,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_ ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Tylocin","MW:916.10",
- ": <-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:/_, ",
- ": @-1,*\,-60,O,0~wb,?6`.7,-5:O,-3:/*OH,-4:*/_,{-1,-2}:/*O!, ",
- ": @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, ",
- ": @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, ",
- ": @8,\*,!,!!,O ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Tilmicosin","MW:869.133",
- ": <-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:/_, ",
- ": @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_, ",
- ": @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_, ",
- ": @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_ ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Chlortetracyclin","MW:478.88",
- ": <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:/CONH2 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Tetracyclin","MW:444.435",
- ": <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:/CONH2 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Doxycyclin","MW:444.43",
- ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_, ",
- ": {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!, at 17,\,//O,!,NH2 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Tiamulin","MW:493.74",
- ": <-45.5,?8,-3=?5, at 8,#.8,-210~zf,/_^60,45,56,##,&6~zb, ",
- ": {3^-45,5,8}:*/_, at 3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60, ",
- ": @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Rifampicin","MW:822.94",
- ": <30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60, ",
- ": |,-8=?6,{2,4}=dl,{1,4}:/OH, ",
- ": #1, at -2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60, ",
- ": */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60, ",
- ": 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8), ",
- ": -4:/*O!, at -6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N! ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Trenbolone","MW:270.37",
- ": <30,?6,{3,10}=?6,13=?5,{2,11,15}=dl, ",
- ": 1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Luciferin","MW:280.33",
- ": <30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Chlorophyll a","MW:893.509",
- ": <-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:/!!,25:/*COO!,26://O, ",
- ": @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Quercetin","MW:302.24",
- ": <30,Ph,3=?6, at 9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Limonin","MW:470.518",
- ": <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:??,{1^60,5^180,16^60}:/*H, ",
- ": @14,\*,|,?5,{1,4}=dl,3:O ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Emetine","MW:480.649",
- ": <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! ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Acronycine","MW:321.376",
- ": <30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Piperine","MW:285.343",
- ": <30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Febrifugine","MW:301.346",
- ": <30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Podophyllotoxin","MW:414.41",
- ": <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~wf^-60,12~zf^60}:/H ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("EN:Warfarin","MW:308.333",
- ": <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O, at 8,\,/Ph`1,60,!,//O,!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("EN:Genistein","MW:270.24",
- ": <30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O, at 8,\,Ph,-3:/OH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("EN:Baicalein","MW:270.24",
- ": <30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O, at 8,\,Ph")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("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, ",
- ": @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("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,*\,/_,!! ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("EN:Pyrethrin I","MW:328.452",
- ": <30,?3,{3^35~wf,3^-35~zf}:/_, at 1,*\,!!,?!, ",
- ": @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O, at -2,\,!4,{-1,-3}=dl ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont;
-%******************************************************************************
-beginfont("EN:Oseltamivir","MW:312.40",
- ": <30,?6,3=dl,6:*/NH2, at 1,\*,NH,!,//O,!, at 2,*\,O,!,/!,!2, at 4,\,//O,!,O,!2")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Paclitaxel","MW:853.918",
- ": ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
- ": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, ",
- ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
- ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Mevastatin","MW:390.52",
- ": <30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_, ",
- ": @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH, at 5,\*,O,60,//O,!,*/_,!2 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Sesamine","MW:354.35",
- ": <54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Morphine","MW:285.343",
- ": <30,Ph,2=?6,-4=?6,(1,12)=?5[2],-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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Quinine","MW:324.424",
- ": <30,Ph,3=Ph,7:N,6:/O!, ",
- ": @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60, at 4,*\,!!, at 2,165~zf,60,&5~zb ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Atoropin","MW:289.375",
- ": <30,O,!,//O,!,!,Ph, ",
- ": @$1,\~zb^-60,|,?7`1.1, at 6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Colchicine","MW:399.443",
- ": <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Ibotenic acid","MW:158.113",
- ": <18,?5,4=dl,3:O,2:NH,1://O, at 4,-24,/NH2,!,COOH")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:illudin S","MW:264.3",
- ": <30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, ",
- ": {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Muscarine","MW:174.26",
- ": <18,?5,2:O,1:*/_,5:/*OH, at 3,*\,48,N,??,p_^180,!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Psilocybin","MW:284.248",
- ": <30,Ph,3=?5,8=dl,9:NH, at 2,\,O,-60,P,//O^-45,/OH^45,90,OH, at 7,\,!,-60,N?!")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Tetrodotoxine","MW:319.27",
- ": #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,{2,6^180}:NH ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
-beginfont("EN:Aflatoxin B1","MW:312.27",
- ": <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 ")
- if check(mc)=0: MC(scantokens(mc)) fi
-endfont
-%******************************************************************************
bye
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 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.03.21
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.04.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
@@ -8,15 +8,8 @@
\edef\jobname{mcf_exa_soc}%
\usepackage{mcf_setup}
%--------------------------------
-%%%%\pdfpkresolution=1200
+\edef\f at ext{mps}%
%--------------------------------
-\edef\f at ext{pk}% **** for proof print (fast)
-%%%%\edef\f at ext{mps}% **** for final print (it takes long time)
-%--------------------------------
-%%%%\edef\fext{png}%
-%%%%\edef\fext{svg}%
-%%%%\edef\fext{eps}%
-%--------------------------------
\pagestyle{empty}
\topmargin=-24mm
\oddsidemargin=-12mm
@@ -43,8 +36,8 @@
Author : Akira Yamaji \quad Date : \today \\
Located at : http://www.ctan.org/pkg/mcf2graph \vspace{3mm} \\
\end{center}
-{\small ** FM:Molecular formula calculated by mcf2graph \quad
- ** MW:Molecular weight calculated by mcf2graph} \vspace{3mm} \\
+{\small ** use molecular data base file 'mcf\_data\_base.mcf'
+ \vspace{3mm} \\
%------------------------------------------------------------------------
\noindent%
\openin\@auxf=\jobname-info.aux%
@@ -62,9 +55,7 @@
\ifx\f at ext\@pk{\font\@font=\jobname\@font\char\f at num}%
\else%
\edef\f at file{\jobname-\z at num\f at num.\f at ext}%
- \setbox\f at box=\hbox{\font\@font=\jobname\@font\char\f at num}%
- \includegraphics[width=\wd\f at box,height=\ht\f at box]{\f at file}%
-%%%% \includegraphics{\f at file}%
+ \includegraphics{\f at file}%
\fi%
}%
}%
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,8 +1,9 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.03.21
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.04.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.61
-message "mcf_man_soc 2021.03.21"; message "";
+input mcf2graph.mf; %% it must be version 4.62
+% ** use data base file 'mcf_data_base.mcf'
+message "mcf_man_soc 2021.04.04"; message "";
%------------------------------------------------------------------------
sw_mframe:=0;
sw_expand:=0;
@@ -1249,11 +1250,7 @@
endfont
defaultsize:=save_defaultsize;
%***************************************************************************
-beginfont("EN:Luciferin","MW:280.33",
- %---------------------------------------
- ": <30,Ph,3=?5, at 8,\,?5,{9,16}=dl, ",
- ": {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH ")
- %---------------------------------------
+beginfont("f:mcf_data_base","t:EN","v:Luciferin")
fsize:=(50mm,15mm);
if check(mc)=0: MC(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 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.03.21
+% Molecular Coding Format manual by Akira Yamaji 2021.04.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\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}%
@@ -1374,12 +1374,10 @@
\subsection{Luciferin}
\index{check()}%
\begin{verbatim}
-beginfont("EN:Luciferin","MW:280.33",
- %-------------------------------------
- ": <30,Ph,3=?5, at 8,\,?5,{9,16}=dl, ",
- ": {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH ")
- %-------------------------------------
- fsize:=(50mm,20mm);
+(use data base file 'mcf_data_base')
+beginfont("f:mcf_data_base",
+ "t:EN","v:Luciferin")
+ fsize:=(50mm,15mm);
if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
@@ -1469,33 +1467,31 @@
%------------------------------------------------------------------------
\onecolumn
\section{Example to use mcf2graph}
-\subsection{Molecular definition file}
+\subsection{Metafont/Metapost souce file}
\index{mcf2graph.mf}%
\index{sw\_aux\_out}%
+\index{sw\_file\_open}%
\index{tag}%
\index{var}%
\begin{verbatim}
%-------------------------------------------------------------------------
-input mcf2graph.mf; % input macro
+input mcf2graph.mf; > input main macro
%-------------------------------------------------------------------------
-sw_aux_out:=1; % aux(information) file output on > Global setting
+sw_aux_out:=1; % aux(information) file output on > global setting
fsize:=(60mm,40mm); % (font width,font height) >
-tag1:="F"; > AUX file table
-tag2:="C"; >
-tag3:="mw"; >
-tag4:="fm"; >
-%%%% sw_rep_out:=1; > Report output
+tag1:="J"; > jobname
+tag2:="C"; > char No
+tag3:="mw"; % calculated molecular weight >
+tag4:="fm"; % calculated molecular formula >
+%%%% sw_rep_out:=1; > report output
%%%% sw_mol_out:=1; > MOL file output
outputformat:="png"; hppp:=vppp:=0.1; > PNG output
outputtemplate:="%j-%3c.png"; >
%-------------------------------------------------------------------------
-beginfont("EN:Ampicillin","MW:349.405", > information
- %---------------------------------------- >
- ": <45,?4,-3=?5,2:N,7:S, ", > mc1
- ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", > mc2
- ": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph ") > mc3
- %---------------------------------------- >
- if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3
+beginfont("EN:Ampicillin","MW:349.405") > information
+ MC(<45,?4,-3=?5,2:N,7:S, > immediately compile
+ 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, >
+ @4,*\^15,NH,!,//O,!,/*NH2,!,Ph) >
endfont > end font
%------------------------------------------------------------------------
beginfont("EN:Cholesterol","MW:386.65", >information
@@ -1507,37 +1503,101 @@
%---------------------------------------- >
if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
endfont > end font
-%------------------------------------------------------------------------
-beginfont("EN:Limonin", > information
- %----------------------------------------- >
- ": <30,?6,{-3,-4}=?6, ", > mc1
- ": -5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, ", > mc2
- ": {13,15,17,20}:O,{3,12,21}://O, ", > mc3
- ": {4~wf^60,8~zf^60,18^35,18^-35}:/_, ", > mc4
- ": {1^60,5^180,16^60}:/*H, ", > mc5
- ": @14,\*,|,?5,{1,4}=dl,3:O) ") > mc6
- %----------------------------------------- >
- if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc6
-endfont > end font
-%------------------------------------------------------------------------
-beginfont("EN:beta-carotene", > information
- %------------------------------------------ >
- ": <30,?6,3=dl,{3,5^35,5^-35}:/_, ", > mc1
- ": @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr, ", > mc2
- ": {3,7,12,16}:/_, ", > mc3
- ": |,?6,6=dl,2:??,6:/_) ") > mc4
- %------------------------------------------ >
- if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
-endfont > end font
-%------------------------------------------------------------------------
+%------------------------------------------------------------------------------
+beginfont("f:mcf_data_base","t:EN","v:Adenine") > from mcf_data_base.mcf
+ if check(mc)=0: MC(scantokens(mc)) fi > select EN="Adenine"
+endfont >
+%------------------------------------------------------------------------------
+beginfont("f:mcf_data_base","t:EN","v:Guanine") > from mcf_data_base.mcf
+ if check(mc)=0: MC(scantokens(mc)) fi > select EN="Guanine"
+endfont
+%------------------------------------------------------------------------------
+beginfont("f:mcf_data_base","t:EN","v:Cytosine") > from mcf_data_base.mcf
+ if check(mc)=0: MC(scantokens(mc)) fi > select EN="Cytosine"
+endfont >
+%------------------------------------------------------------------------------
+sw_file_open:=1; > keep file open **default sw_file_open=0
+%------------------------------------------------------------------------------
+beginfont("f:mcf_data_base","t:n","v:4") > from mcf_data_base.mcf
+ if check(mc)=0: MC(scantokens(mc)) fi > v:4 select No.4
+endfont >
+%------------------------------------------------------------------------------
+for i=5 upto 155: > from mcf_data_base.mcf
+ beginfont("f:mcf_data_base","t:n","v:0") > v:0 no selection
+ if check(mc)=0: MC(scantokens(mc)) fi > No.5 - No.155
+ endfont >
+endfor >
+%------------------------------------------------------------------------------
bye
\end{verbatim}
%------------------------------------------------------------------------
\noindent%
\newpage
+\subsection{Molecular data base file}
+\begin{verbatim}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.04.04
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% tag1:var1;tag2:var2;tag3:var3 ....
+% first character of line '%' comment out
+% first character of line '+' begin molecular definition
+% first character of line '-' end molecular definition
+%---------------------------------------------------------------------------
+EN:Cytosine;MW:111.10
++
+<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
+----------------------------------------------------------------------------
+EN:Thymine;MW:126.11
++
+<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
+----------------------------------------------------------------------------
+EN:Uracil;MW:112.09
++
+<30,?6,6=dl,{3,5}://O,{2,4}:NH
+----------------------------------------------------------------------------
+EN:Geraniol;MW:154.25
++
+<30,!8,OH,{2,6}=dr,{2,6}:/_
+----------------------------------------------------------------------------
+EN:Limonene;MW:136.24
++
+<30,?6,2=dl,2:/_, at 5,*\,/_,!!
+----------------------------------------------------------------------------
+EN:l-Menthol;MW:156.27
++
+<30,?6,2:/*?!,5:*/_,3:*/OH
+----------------------------------------------------------------------------
+EN:Vanillin;MW:152.15
++
+<30,Ph,2:/OH,3:/O!,5:/CHO
++----------------------------------------------------------------------------
+EN:Allicin;MW:162.28
++
+<-30,!!,!2,SO,!,S,!2,!!
+----------------------------------------------------------------------------
+EN:Stearic acid;MW:284.48;
++
+<30,!17,COOH
+----------------------------------------------------------------------------
+EN:Linoleic acid;MW:280.45
++
+<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr
+----------------------------------------------------------------------------
+EN:Sphingosine;MW:299.50
++
+<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
+----------------------------------------------------------------------------
+EN:Tocopherol;MW:430.717
++
+<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_
+----------------------------------------------------------------------------
+\end{verbatim}
+%------------------------------------------------------------------------
+\noindent%
+\newpage
\subsection{Information auxfile output}
\paragraph{(Insert option parameter setting)}
-\index{F}%
+\index{J}%
\index{C}%
\index{NO}%
\index{MW}%
@@ -1570,7 +1630,7 @@
\end{verbatim}
\paragraph{(Setting)}
\begin{verbatim}
-tag1:="F"; tag2:="C"; tag3:="mw"; tag4:="fm"; tag5:="EN";
+tag1:="J"; tag2:="C"; tag3:="mw"; tag4:="fm"; tag5:="EN";
\end{verbatim}
\paragraph{(Output)}
\index{aux\_delimiter}%
@@ -1596,7 +1656,7 @@
\end{verbatim}
\paragraph{(Tag)}
\begin{verbatim}
-F : filename
+J : jobname
C : char number
NO : serial number
EN : english name
@@ -1820,15 +1880,15 @@
%--------------------------------------------------------------------
\begin{document}
\unitlength=1mm%
-\INFO{F:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
+\INFO{J:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
+\INFO{J:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
\end{document}
%--------------------------------------------------------------------
\end{verbatim}%
%############################################################################
%------------------------------------------------------------------------
-\INFO{F:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
+\INFO{J:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
+\INFO{J:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
%------------------------------------------------------------------------
\texttt{\printindex}
%------------------------------------------------------------------------
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 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,7 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.03.21
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.04.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf must be version 4.61
+% ** mcf2graph.mf must be version 4.62
+% ** use mcf_data_base.mcf
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
@@ -37,6 +38,7 @@
\section{MCF example}
\noindent%
%------------------------------------------------------------------------------------
+ use molecular data base file 'mcf\_exa\_data.mcf'\\
{{\tt FM(C) :} molecular formula calculated by mcf2graph\\
{{\tt MW(C) :} molecular weight calculated by mcf2graph\\
{{\tt MW(D) :} molecular weight from literature data
@@ -44,31 +46,21 @@
\subsection{Chlorophyll a}
\noindent%
\begin{verbatim}
-beginfont("NO:1","EN:Chlorophyll a","MW:893.49",
- %-----------------------------------------------------------------------
- ": <54,#1,?5,{2,5}=dl,4:N, at 3,\,54~dl,|,?5,{2,4}=dl,5:N, ",
- ": @-2,\,54~dl,|,?5,2=dl,5:N, at -2,\~dl,54,|,?5,5=dl,5:N, at -2,\~dl,&$5, ",
- ": @-1,24,/*COO!^15,72,//O,&$1,##,||, ",
- ": {2,9,15,20~zf}:/_,8:/!,14:/!!, ",
- ": @4,\`1.45,Mg,&17, at -1,&11~vb, at -1,&23~vb, ",
- ": @21,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ")
- %-----------------------------------------------------------------------
- fsize:=(100mm,50mm);
+beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a")
+ 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));
+ )
endfont
\end{verbatim}
%------------------------------------------------------------------------------------
\begin{mplibcode}
-beginfont("NO:1","EN:Chlorophyll a","MW:893.49",
- %-----------------------------------------------------------------------
- ": <54,#1,?5,{2,5}=dl,4:N, at 3,\,54~dl,|,?5,{2,4}=dl,5:N, ",
- ": @-2,\,54~dl,|,?5,2=dl,5:N, at -2,\~dl,54,|,?5,5=dl,5:N, at -2,\~dl,&$5, ",
- ": @-1,24,/*COO!^15,72,//O,&$1,##,||, ",
- ": {2,9,15,20~zf}:/_,8:/!,14:/!!, ",
- ": @4,\`1.45,Mg,&17, at -1,&11~vb, at -1,&23~vb, ",
- ": @21,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ")
- %-----------------------------------------------------------------------
- fsize:=(100mm,50mm);
+beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a")
+ fsize:=(100mm,45mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(
defaultscale:=0.8;
@@ -79,28 +71,24 @@
endfont
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\subsection{Gibberellin A3}
+\subsection{Okadaic acid}
\noindent%
\begin{verbatim}
-beginfont("NO:4","EN:Gibberellin A3","MW:346.37",
- %--------------------------------------------------------
- ": <18,?5,3=?7,5=?6[12], at 8,160`1.3,&3,13=dl,6=wf,8=wb, ",
- ": @5,40~zf`1,O,60,//O^180,&14~zb, ",
- ": 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60 ")
- %--------------------------------------------------------
- fsize:=(120mm,30mm);
+beginfont("f:mcf_data_base","t:EN","v:Okadaic acid")
+ 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));
+ )
endfont;
\end{verbatim}
%----------------------------------------------------------------------------
\begin{mplibcode}
-beginfont("NO:4","EN:Gibberellin A3","MW:346.37",
- %--------------------------------------------------------
- ": <18,?5,3=?7,5=?6[12], at 8,160`1.3,&3,13=dl,6=wf,8=wb, ",
- ": @5,40~zf`1,O,60,//O^180,&14~zb, ",
- ": 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60 ")
- %--------------------------------------------------------
- fsize:=(120mm,30mm);
+beginfont("f:mcf_data_base","t:EN","v:Okadaic acid")
+ fsize:=(150mm,35mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(
defaultscale:=0.8;
@@ -116,7 +104,7 @@
\noindent%
%----------------------------------------------------------------------------
\begin{verbatim}
-beginfont("NO:5","EN:Erythromycin","MW:733.93",
+beginfont("EN:Erythromycin","MW:733.93",
%------------------------------------------------------------------
": <30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, ",
": 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, ",
@@ -124,13 +112,13 @@
": @$3,\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, ",
": @$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ")
%------------------------------------------------------------------
- fsize:=(120mm,35mm);
+ fsize:=(120mm,30mm);
if check(mc)=0: MC(scantokens(mc)) fi
endfont;
\end{verbatim}
%----------------------------------------------------------------------------
\begin{mplibcode}
-beginfont("NO:5","EN:Erythromycin","MW:733.93",
+beginfont("EN:Erythromycin","MW:733.93",
%------------------------------------------------------------------
": <30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, ",
": 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, ",
@@ -138,7 +126,7 @@
": @$3,\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, ",
": @$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ")
%------------------------------------------------------------------
- fsize:=(120mm,35mm);
+ fsize:=(120mm,30mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(
defaultscale:=0.8;
@@ -159,7 +147,7 @@
": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
%---------------------------------------------------------------------
- fsize:=(120mm,35mm);
+ fsize:=(120mm,30mm);
if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
@@ -172,7 +160,7 @@
": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
%---------------------------------------------------------------------
- fsize:=(120mm,35mm);
+ fsize:=(120mm,30mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(
defaultscale:=0.8;
@@ -217,9 +205,10 @@
\noindent%
%----------------------------------------------------------------------------
\begin{verbatim}
-beginfont("NO:6","EN:Vancomycin","MW:1449.25");
-fsize:=(150mm,50mm);
-MC(<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
+% 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,##,
@@ -226,21 +215,14 @@
{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)
-endfont;
+ @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
+-------------------------------------------------------------------------------
\end{verbatim}
%----------------------------------------------------------------------------
\begin{mplibcode}
-beginfont("NO:6","EN:Vancomycin","MW:1449.25");
-fsize:=(150mm,45mm);
-MC(<-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)
+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));
@@ -254,53 +236,38 @@
\noindent%
%--------------------------------------------------------------------------------
\begin{verbatim}
-beginfont("NO:7","EN:Maitotoxin","MW:3425.86")
-fsize:=(170mm,70mm);
-MC(<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)
-endfont
+% 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
+-------------------------------------------------------------------------------
\end{verbatim}
%--------------------------------------------------------------------------------
\begin{mplibcode}
-fsize:=(170mm,60mm);
-beginfont("NO:7","EN:Maitotoxin","MW:3425.86")
-MC(<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
- )
- 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));
- )
+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
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.61 Copyright (c) 2013-2021 Akira Yamaji
+% mcf2graph ver 4.62 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,
@@ -33,11 +33,12 @@
% Set output report : mpost -s ahlength=3 FILENAME
% Set output MOL(V2000) : mpost -s ahlength=5 FILENAME
% Set output MOL(V3000) : mpost -s ahlength=6 FILENAME
+% Set output souce file for metafont : mpost -s ahlength=7 FILENAME
% Set to use plain.mp (label,arrow) : mpost -s labeloffset=1 FILENAME
% Set to use plain.mp (label,arrow,atom) : mpost -s labeloffset=2 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message "* This is mcf2graph ver 4.61 2021.03.21";
+message "* This is mcf2graph ver 4.62 2021.04.04";
%-------------------------------------------------------------------------------------------------
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;
@@ -46,9 +47,9 @@
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[],out_file_name,out_file_aux,
+string save_str[],tbl_atom_str[],strD[],tag[],file_name_output,out_file_aux,blank_str,temp_str,
out_file_rep,out_file_mpc,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,blank_str;
+ 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;
picture mol_stru[],atom_picture,save_picture,temp_picture;
path arrow_path,dottedline_path,line_path,arrow_head;
@@ -55,7 +56,7 @@
%-------------------------------------------------------------------------------------------------
char_num:=str_cnt:=tbl_cnt:=proc_end:=mangle:=sw_calc:=sw_ext_all:=0;
sw_numberA:=sw_numberB:=sw_aux_out:=sw_expand:=sw_fframe:=sw_mframe:=sw_aframe:=sw_trimming:=0;
-sw_rep_out:=sw_mol_out:=sw_group_off:=sw_single:=sw_arrow_emu:=0;
+sw_rep_out:=sw_mol_out:=sw_group_off:=sw_single:=sw_arrow_emu:=sw_file_open:=0;
numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095;
%-------------------------------------------------------------------------------------------------
aux_max:=max_inf_num:=20;
@@ -102,7 +103,7 @@
out_file_aux:=jobname&"-info.aux";
out_file_mpc:=jobname&"-mpc.txt";
out_file_rep:=jobname&"-report.txt";
- def out_file_mol= jobname&"-"&fit_zero(char_num)&"-"&inf_EN&".mol" enddef;
+ def file_mol_output= jobname&"-"&fit_zero(char_num)&"-"&inf_EN&".mol" enddef;
%--default ahangle=45---------------------------------------------------------------------
if ahangle=0: outputformat:="eps"; % eps format(.mps)
elseif ahangle=11: outputformat:="png"; hppp:=vppp:=0.24; % png format(300dpi)
@@ -136,7 +137,7 @@
fi
%-----------------------------------------------------------------------------------------
def endchar = endfig enddef;
- def printf expr s= write s to out_file_name enddef;
+ def printf expr s= write s to file_name_output enddef;
def # = enddef;
vardef totalweight expr a= 0 enddef;
def Cp(expr s) = if known s: if s<>0: withcolor color_list[s] fi fi enddef;
@@ -221,7 +222,7 @@
%--------------------------------------------------------------------------------------------------
def parameter_list=
sw_rep_out,sw_numberA,sw_numberB,sw_mframe,sw_aux_out,sw_expand,sw_mol_out,sw_calc,
- sw_single,sw_ext_all,sw_aframe,sw_fframe,sw_group_off,sw_trimming,sw_arrow_emu,
+ sw_single,sw_ext_all,sw_aframe,sw_fframe,sw_group_off,sw_trimming,sw_arrow_emu,sw_file_open,
ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,ratio_chain_ring,ratio_bondgap_bond,
ratio_hash_black,ratio_hashgap_bond,ratio_thickness_char,ratio_wedge_bond,ratio_atomgap_atom,
lonepairdiam,lonepairspace,blength,offset_atom,offset_wedge,max_blength,offset_hash_gap,
@@ -263,8 +264,10 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def beginfont(text s)=
begingroup
- save ',f_beginchar,f_ext,blen,ext,add,ang_br,s_fw,s_bw,s_len,at_colon,info,mc;
- string info[],mc[],mc;
+ save ',f_beginchar,f_ext,blen,ext,add,ang_br,n_fw,n_bw,at_colon,at_semicol,info,mc,temps,
+ file_name_input,temps_a,t_tag;
+ numeric at_semicol[];
+ string info[],mc[],temps,temps_a,mc,file_name_input,t_tag;
%------------------------------------------------------------------------------------------------
def ext=ext_to_font enddef;
def add=add_to_molecule enddef;
@@ -282,20 +285,22 @@
for list=s: inf_num:=inf_num+1; info[inf_num]:=list; mc[inf_num]:=""; endfor
%------------------------------------------------------------------------------------------------
for j=1 upto inf_num:
- at_colon:=0;
- for i=1 upto 9: if subc(i,info[j])=":": at_colon:=i; fi exitif at_colon>0; endfor
- s_len:=length(info[j]);
+ at_colon:=scan_char(":",info[j],0,1);
if at_colon=1:
- s_fw:=0; for k=2 upto s_len: if subc(k,info[j])<>" ": s_fw:=k; fi exitif s_fw>0; endfor
- s_bw:=0; for k=s_len downto 2: if subc(k,info[j])<>" ": s_bw:=k; fi exitif s_bw>0; endfor
+ n_fw:=scan_char(" ",info[j],1,2);
+ n_bw:=scan_char(" ",info[j],-1,2);
mc_row:=mc_row+1;
- mc_indent[mc_row]:=s_fw-2;
- mc[mc_row]:=substring (s_fw-1,s_bw) of info[j];
+ mc_indent[mc_row]:=n_fw-2;
+ mc[mc_row]:=substring (n_fw-1,n_bw) of info[j];
mc:=mc&mc[mc_row];
ef at_colon>=1:
- s_tag:=substring (0,at_colon-1) of info[j];
- s_var:=substring (at_colon,s_len) of info[j];
- if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
+ s_tag:=substring (0,at_colon-1) of info[j];
+ s_var:=substring (at_colon,length(info[j])) of info[j];
+ if s_tag="f": if f_MP=1: file_name_input:=s_var&".mcf"; fi
+ ef s_tag="t": if f_MP=1: t_tag:=s_var; fi
+ ef s_tag="v": if f_MP=1: nA:=extract_data(t_tag,s_var); fi
+ else: if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
+ fi
fi
endfor
%------------------------------------------------------------------------------------------------
@@ -355,6 +360,65 @@
%% message "* parts_int (0)="& decimal(parts_int) &" "& decimal(parts_int-parts_int_start);
%-----------------------------------------------------------------------------------------------
enddef;
+%-------------------------------------------------------------------------------------------------
+vardef extract_data(expr t,v)=
+ save data_cnt,f_end,semicol_cnt,cond,n_var;
+ f_end:=data_cnt:=semicol_cnt:=cond:=at_semicol[0]:=0;
+ if t="n": n_var:=scantokens(v); fi
+ forever:
+ temps:=readfrom file_name_input;
+ exitif temps=EOF;
+ if subc(1,temps)="%":
+ ef subc(1,temps)="*": f_end:=1;
+ ef subc(1,temps)="+":
+ data_cnt:=data_cnt+1;
+ if t="n": if n_var=0: cond:=1; else: if data_cnt=n_var: cond:=1; fi fi
+ else: if v=scantokens("inf_"&t): cond:=1; fi
+ fi
+ if cond=1:
+ forever:
+ temps:=readfrom file_name_input;
+ exitif subc(1,temps)="-";
+ mc_row:=mc_row+1;
+ n_fw:=scan_char(" ",temps,1,1);
+ mc_indent[mc_row]:=n_fw-1;
+ mc[mc_row]:=substring (n_fw-1,length(temps)) of temps;
+ mc:=mc&mc[mc_row];
+ endfor
+ f_end:=1;
+ else:
+ forever: temps:=readfrom file_name_input; exitif subc(1,temps)="-"; endfor
+ fi
+ else:
+ semicol_cnt:=0;
+ for i=1 upto length(temps):
+ if subc(i,temps)=";": semicol_cnt:=semicol_cnt+1; at_semicol[semicol_cnt]:=i; fi
+ endfor
+ for i=1 upto semicol_cnt+1:
+ if i<=semicol_cnt: temps_a:=substring (at_semicol[i-1],at_semicol[i]-1) of temps;
+ else: temps_a:=substring (at_semicol[semicol_cnt],length(temps)) of temps;
+ fi
+ at_colon:=scan_char(":",temps_a,0,1);
+ s_tag:=substring (0,at_colon-1) of temps_a;
+ s_var:=substring (at_colon,length(temps_a)) of temps_a;
+ if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
+ endfor
+ fi
+ exitif f_end=1;
+ endfor
+ if sw_file_open=0: closefrom file_name_input; fi
+ data_cnt
+enddef;
+%--------------------------------------------------------------------------------------------------
+vardef scan_char(expr c,s,d,n)=
+ save k,n_s;
+ n_s:=0;
+ if d=0: for k=n upto length(s): if subc(k,s)=c: n_s:=k; fi exitif n_s>0; endfor
+ ef d=1: for k=n upto length(s): if subc(k,s)<>c: n_s:=k; fi exitif n_s>0; endfor
+ ef d=-1: for k=length(s) downto n: if subc(k,s)<>c: n_s:=k; fi exitif n_s>0; endfor
+ fi
+ n_s
+enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def set_def_MC=
save /,//,/*,*/,**,*/*,~,^,',`,<,>,:,=,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,inside_def_MC;
@@ -1531,7 +1595,7 @@
%=================================================================================================
def proc_auxfile_out=
message "["&decimal(char_num)&"]:"&inf_EN;
- out_file_name:=out_file_aux;
+ file_name_output:=out_file_aux;
%--------------------------------------------------------------------------------------
if (char_num=1)and(sw_aux_out=2):
printf tag[1] for i=2 upto aux_max: exitif tag[i]=""; &aux_delimiter&tag[i] endfor ;
@@ -1541,7 +1605,7 @@
if i=1: printf "" else: &aux_delimiter fi
if (sw_aux_out=1)or(sw_aux_out=3): &tag[i]&":" fi
%-------------------------------------------
- if tag[i]="F": & jobname
+ if tag[i]="J": & jobname
ef tag[i]="C": & decimal(char_num)
ef tag[i]="mw": & cal_MW
ef tag[i]="fm": & cal_FM
@@ -1576,7 +1640,7 @@
%-------------------------------------------------------------------------------------------------
def proc_report_out=
message "["&decimal(char_num)&"]:"&inf_EN;
- out_file_name:=out_file_rep;
+ file_name_output:=out_file_rep;
printf "===========================================================================";
printf " No."&fdr(4)(char_num)&" / Name = "& inf_EN;
if mc_row>=1:
@@ -1640,7 +1704,7 @@
%=================================================================================================
def proc_mol_out=
message "["&decimal(char_num)&"]:"&inf_EN;
- out_file_name:=out_file_mol;
+ file_name_output:=file_mol_output;
%-V2000---------------------------------------------------------------------------------------
if sw_mol_out=1:
printf ""; printf " -MCFtoMOL- "&fsl(20)(info[1]); printf "";
@@ -1818,13 +1882,13 @@
if mc_row>=1:
%---------------------------------------------------------------------------------------------
for i=1 upto length(s):
- temp_c:=subc(i,s); if temp_c<>" ": char_cnt:=char_cnt+1; mc_char[char_cnt]:=ASCII(temp_c); fi
+ temp_c:=subc(i,s);
+ if temp_c<>" ": char_cnt:=char_cnt+1; mc_char[char_cnt]:=ASCII(temp_c); fi
endfor
mc_char[0]:=mc_char[char_cnt+1]:=mc_char[char_cnt+2]:=a_cmm;
%-- argument missing chkeck ----------------------------------------------------------------
cnt_prn_s:=cnt_prn_e:=cnt_brc_s:=cnt_brc_e:=cnt_brk_s:=cnt_brk_e:=cnt_inline_def:=cnt_at:=0;
- cnt_cmm:=cnt_and:=cnt_gtn:=cnt_gtn:=0;
- nA:=f_depth:=0;
+ cnt_cmm:=cnt_and:=cnt_gtn:=cnt_gtn:=nA:=f_depth:=0;
forever:
nA:=nA+1; nB:=mc_char[nA-1]; nC:=mc_char[nA]; nD:=mc_char[nA+1];
%-----------------------------------------------------------------------------------------
@@ -1869,16 +1933,21 @@
if nB<>a_cmm: proc_err(8,nA) fi % a |
fi
%------------------------------------------------------------------------------------------
- ef nC=a_prn_s: cnt_prn_s:=cnt_prn_s+1; f_depth:=1;
+ ef nC=a_prn_s: if nD= a_cmm: proc_err(7,nA) fi % ( x
+ cnt_prn_s:=cnt_prn_s+1; f_depth:=1;
if nB=a_qut: cnt_inline_def:=cnt_inline_def+1; fi
ef nC=a_prn_e: cnt_prn_e:=cnt_prn_e+1; f_depth:=0;
- ef nC=a_brc_s: cnt_brc_s:=cnt_brc_s+1; f_depth:=1;
- ef nC=a_brc_e: cnt_brc_e:=cnt_brc_e+1; f_depth:=0;
+ ef nC=a_brc_s: if nD= a_cmm: proc_err(7,nA) fi % { x
+ cnt_brc_s:=cnt_brc_s+1; f_depth:=1;
+ ef nC=a_brc_e: if nD= a_cmm: proc_err(7,nA) fi % } x
+ cnt_brc_e:=cnt_brc_e+1; f_depth:=0;
if nD=a_cln: cnt_chg_atoms:=cnt_chg_atoms+1;
ef nD=a_equ: cnt_chg_bonds:=cnt_chg_bonds+1;
fi
- ef nC=a_brk_s: cnt_brk_s:=cnt_brk_s+1; f_depth:=1;
- ef nC=a_brk_e: cnt_brk_e:=cnt_brk_e+1; f_depth:=0;
+ ef nC=a_brk_s: if nD= a_cmm: proc_err(7,nA) fi % [ x
+ cnt_brk_s:=cnt_brk_s+1; f_depth:=1;
+ ef nC=a_brk_e: if nB= a_cmm: proc_err(7,nA) fi % x ]
+ cnt_brk_e:=cnt_brk_e+1; f_depth:=0;
%-------------------------------------------------------------------------------------------
fi
exitif nA>=char_cnt+1;
Modified: trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty
===================================================================
--- trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty 2021-04-05 01:52:04 UTC (rev 58755)
+++ trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty 2021-04-05 22:35:01 UTC (rev 58756)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf_setup.sty for input aux file by Akira Yamaji 2020.08.30
+% mcf_setup.sty for input aux file by Akira Yamaji 2020.04.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\edef\@F{F} \edef\File{}% 1
+\edef\@J{J} \edef\Job{}% 1
\edef\@C{C} \edef\Char{}% 2
%------------------------------------
\edef\@NO{NO} \edef\NO{}% 3
@@ -41,7 +41,8 @@
\edef\@tag{\expandafter\@tag at param#1;}%
\edef\@var{\expandafter\@var at param#1;}%
%----------------------------------------
- \ifx\@tag\@F\edef\File{\@var}\fi% 1
+ \ifx\@tag\@J\edef\Job{\@var}\fi% 1
+ %----------------------------------------
\ifx\@tag\@C\edef\Char{\@var}\fi% 2
%----------------------------------------
\ifx\@tag\@NO\edef\NO{\@var}\fi% 3
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