diff options
Diffstat (limited to 'Master/texmf-dist/doc')
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 16 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 2 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 628 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 306181 -> 527360 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 7 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 46 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 596528 -> 597299 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 78 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 201510 -> 201986 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 40 |
10 files changed, 592 insertions, 225 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 4dcbe73f9ad..919160a9ce1 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,7 +1,19 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2020-12-12 + Changelog of mcf2graph software package by Akira Yamaji 2021-01-03 ******************************************************************************* -[ver. 4.54 / 2022-12-12] +[ver. 4.55 / 2021-01-03] + -fix bug in molecular weight calculation + -fix bug in charged atom calculation + -add commands + ?! : /_,! + ?? : /_^35,/_-35 + /?! : isopropyl + /??! : tert-butyl + -change syntax + /N!_ => /N?! : dimethylamino + -update MCF manual,example + +[ver. 4.54 / 2020-12-12] -fix bug in report output -update MCF manual,example diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 2b8ac639e08..f44677ee943 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/README +++ b/Master/texmf-dist/doc/metapost/mcf2graph/README @@ -1,7 +1,7 @@ ******************************************************************************** mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST Author : Akira Yamaji - version : 4.54 2020-12-12 + version : 4.55 2021-01-03 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf index cc0dba4b77b..f91483eb728 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,15 +1,15 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2020.12.12 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.54 or later -message "mcf_exa_soc 2020.12.12"; +input mcf2graph.mf; %%% it must be version 4.55 or later +message "mcf_exa_soc 2021.01.03"; message ""; %------------------------------------------------------------------------- -fsize:=(33mm,24mm); +fsize:=(35mm,24mm); max_blength:=4.5mm; %------------------------------------------------------------------------- %%%%sw_aux_out:=1; -%%%%sw_fframe:=4; +%%%%sw_fframe:=1; %%%%sw_aframe:=1; %%%%sw_mframe:=1; %%%%sw_expand:=1; @@ -28,14 +28,326 @@ tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; %%%% draw(0,0)--(w,0)--(w,h)--(0,h)--cycle; %%%% 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 ); +%--------------------------------------------------------------------------- +%%%%sw_calc:=1; +%%%%ext(defaultfont:="uhvr8r"; defaultscale:=.3; +%%%% label.lrt(decimal(char_num)&":"&inf_EN&" MW="&cal_MW +%%%% if inf_MW<>"-": &"("& decimal(num_MW-scantokens(inf_MW))&")" +%%%% else: &"(-)" fi ,(-2bp,1.5bp));) +%*********************************************************************** +beginfont("EN:Adenine","MW:135.13") + MC(<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH) +endfont +%*********************************************************************** +beginfont("EN:Guanine","MW:151.13") + MC(<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2) +endfont +%*********************************************************************** +beginfont("EN:Cytosine","MW:111.10") + MC(<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2) +endfont +%*********************************************************************** +beginfont("EN:Thymine","MW:126.11") + MC(<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_) +endfont +%*************************************************************************** +beginfont("EN:Uracil","MW:112.09") + MC(<30,?6,6=dl,{3,5}://O,{2,4}:NH) +endfont +%*************************************************************************** +beginfont("EN:Geraniol","MW:154.25") + MC(<30,!8,OH,{2,6}=dr,{2,6}:/_) +endfont +%*************************************************************************** +beginfont("EN:Limonene","MW:136.24") + MC(<30,?6,2=dl,2:/_,5:*\,/_,!!) +endfont +%*************************************************************************** +beginfont("EN:l-Menthol","MW:156.27") + MC(<30,?6,2:/*?!,5:*/_,3:*/OH) +endfont +%*************************************************************************** +beginfont("EN:Vanillin","MW:152.15") + MC(<30,Ph,2:/OH,3:/O!,5:/CHO) +endfont +%*************************************************************************** +beginfont("EN:Allicin","MW:162.28") + MC(<-30,!!,!2,SO,!,S,!2,!!) +endfont +%*************************************************************************** +beginfont("EN:Stearic acid","MW:284.48") + MC(<30,!17,COOH) +endfont +%*************************************************************************** +beginfont("EN:Linoleic acid","MW:280.45") + MC(<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr) +endfont +%*************************************************************************** +beginfont("EN:Sphingosine","MW:299.50") + MC(<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2) +endfont +%************************************************************************** +beginfont("EN:Tocopherol","MW:430.717") + MC(<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,8:\,|,!12,{4,8}:/*_,12:/_) +endfont +%*************************************************************************** +beginfont("EN:Carotene","MW:536.8726") + MC(<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:??) +endfont +%*************************************************************************** +beginfont("EN:Adrenalin","MW:183.21") + MC(<30,Ph,{1,6}:/OH,4:\,*/OH,!2,NH,!) +endfont +%*************************************************************************** +beginfont("EN:Caffeine","MW:194.194") + MC(<30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!) +endfont +%*************************************************************************** +beginfont("EN:Nicotine","MW:162.23"); + MC(<30,Ph,2:N,4:\,?5,8:N!) +endfont; +%************************************************************************** +beginfont("EN:Capsaicin","MW:305.418") + MC(<30,Ph,1:/OH,6:/O!,4:\,!,NH,!,//O,!7,?!,-3=d) +endfont +%*************************************************************************** +beginfont("EN:Thiamine","MW:300.81") + MC(<30,Ph,4:/NH2,3:\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, + -3:\,!2,OH,8:&"+"^72,11:@,-48~0`2.4,Cl[-1]) +endfont +%************************************************************************** +beginfont("EN:Gibberellin A3","MW:346.379"); + MC(<18,?5,3=?7,5=?6[12],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) +endfont; +%************************************************************************** +beginfont("EN:Cholesterol","MW:386.664") + MC(<30,?6,{-4,-2}=?6,-4=?5,7=dl, + 1:*/OH,{4,12}:*/_^60, + 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,-1:@,17,/*_,!4,?!) +endfont +%*************************************************************************** +beginfont("EN:Riboflavin","MW:376.37") + MC(<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) +endfont +%*************************************************************************** +beginfont("EN:Resveratrol","MW:228.24") + MC(<30,Ph,4:\,!!,!,Ph,{2,6,-3}:/OH) +endfont +%*************************************************************************** +beginfont("EN:Glutathione","MW:307.33") + MC(<-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH) +endfont +%*************************************************************************** +beginfont("EN:Hexaphenylbenzene","MW:534.6876") + MC(<30,Ph,{1,2,3,4,5,6}:/Ph) +endfont +%*************************************************************************** +beginfont("EN:Kekulene","MW:600.7") + MC(<30,?6,{2,-3,-2,-3,-2,-3,-2,-3,-2,-3}=?6,|=1,4:\,-1:#,-3:\,5:#,=|, + {2,15,55}=dr, + {6,8,10,13,18,20,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl) +endfont +%*************************************************************************** +beginfont("EN:18-Crown-6","MW:264.32") + MC(<-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:#) +endfont +%*************************************************************************** +beginfont("EN:Melamine","MW:126.12") + MC(<30,Ph,{2,4,6}:N,{1,3,5}:/NH2) +endfont +%*************************************************************************** +beginfont("EN:Sudan red 1","MW:248.28") + MC(<30,Ph,1=Ph,4:/OH,3:\,N,!!,N,!,Ph) +endfont +%*************************************************************************** +beginfont("EN:Basic blue 1","MW:319.86") + MC(<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:&"+",9:@,0~0`1,Cl[-1]) +endfont +%*************************************************************************** +beginfont("EN:Disperse violet 1","MW:238.25") + MC(<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2) +endfont +%*************************************************************************** +beginfont("EN:Vat blue 1","MW:262.27") + MC(<30,Ph,3=?5,8:\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O) +endfont +%*************************************************************************** +beginfont("EN:Mordant red 11","MW:240.22") + MC(<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-2}:/OH) +endfont +%*************************************************************************** +beginfont("EN:Atrazine","MW:215.7") + MC(<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!) +endfont +%*************************************************************************** +beginfont("EN:BHC","MW:290.83") + MC(<30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl) +endfont +%*************************************************************************** +beginfont("EN:pp-DDT","MW:354.49") + MC(<30,Ph,6:/Cl,3:\,/CCl3,!,Ph,-3:/Cl) +endfont +%*************************************************************************** +beginfont("EN:Endrin","MW:380.91") +MC(<30,?6`1.3,3=?6,6=dl,9=?3,-1:O, + 2:@,210~wf`1.5,5:#~wb,7:@,210~zf`1.5,10:#~zb, + {1,2,5,6,12^-210,12^-150}:/Cl) +endfont +%*************************************************************************** +beginfont("EN:Bromacil","MW:261.119") +MC(<30,?6,6=dl,3:N,1:/Br,{2,4}://O,5:NH,6:/_,3:\,/_,!2) +endfont +%*************************************************************************** +beginfont("EN:Acrinathrin","MW:541.45") +MC(<-30,?3,2^-35:*/_,2^35:/*Me, + 1:\,!~dl,!,//O,!,O,!,/CF3,!,CF3,3:\,//O,!,O,!,/CN,!,Ph,-4:\,O,-60,Ph) +endfont +%*************************************************************************** +beginfont("EN:Cafenstrole","MW:350.4") +MC(<30,Ph,{2,4,6}:/_,3:\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,-2:\,//O,!,N,/!,!2) +endfont +%*************************************************************************** +beginfont("EN:Carfentrazone-ethyl","MW:412.19") + MC(<30,Ph,4:/F,6:/Cl,1:\,!,/Cl,!,//O,!,O,!2, + 3:\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_) +endfont +%*************************************************************************** +beginfont("EN:Carboxin","MW:235.301") +MC(<30,?6,3=dl,2:S,5:O,4:/_,3:\,//O,!,NH,!,Ph) +endfont +%*************************************************************************** +beginfont("EN:Clomazone","MW:239.7") + MC(<30,Ph,2:/Cl,3:\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O) +endfont +%*************************************************************************** +beginfont("EN:Ethofenprox","MW:376.5") +MC(<30,Ph,5:\,O,!,Ph,10:\,O,!3,??,!,Ph,-3:/O!2) +endfont +%*************************************************************************** +beginfont("EN:Halfenprox","MW:477.4") + MC(<30,Ph,6:\,O,!,/F^35,/F^-35,!,Br,3:\,!,??,!,O,!,!,Ph,-2:\,O,60,Ph) +endfont +%*************************************************************************** +beginfont("EN:Paraquat","MW:257.16") + MC(Ph,4:\,Ph,{1,10}:N!,1:&"+"^-90,10:&"+"^90, + 10:@,0`1.5~0,Cl[-1],90~0`.6,Cl[-1]) +endfont +%*************************************************************************** +beginfont("EN:Picolinafen","MW:376.331") + MC(<30,Ph,5:/CF3,3:\,O,!,|,Ph,2:N,3:\,//O,!,NH,!,|,Ph,4:/F) +endfont +%*********************************************************************** +beginfont("EN:Quinoxyfen","MW:308.13") + MC(<30,Ph,4=Ph,10:N,{2,6}:/Cl,7:\,O,!,|,Ph,4:/F) +endfont +%*********************************************************************** +beginfont("EN:Quitozene","MW:295.3") + MC(<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2) +endfont +%*************************************************************************** +beginfont("EN:Bitertanol","MW:337.4") + MC(<30,Ph,3:\,Ph,-3:\,O,!2,/OH,!,??!,14:\,|,?5,{2,4}=dl,{1,2,4}:N) +endfont +%*************************************************************************** +beginfont("EN:Bifenox","MW:342.14") + MC(<30,Ph,{4,6}:/Cl,3:\,O,!,Ph,-4:/COO!,-3:/NO2) +endfont +%*************************************************************************** +beginfont("EN:Simeconazole","MW:293.417") + MC(<36,?5,{1,3,5}:N,{1,4}=dl, + 3:@,30,!,/OH^30,!2,Si,/_,/_^60,!,7:@,-30,Ph,-3:/F) +endfont +%*************************************************************************** +beginfont("EN:Fenamidone","MW:311.403") + MC(<18,?5,4=dl,{3,5}:N,2://O,3:\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph) +endfont +%*************************************************************************** +beginfont("EN:Fenpyroximate","MW:421.49") + MC(<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me,3:\^-15,O,!,Ph, + 4:\,!~dr,N,!,O,!2,|,Ph,4:\,//O,-60,O,!4) +endfont +%*************************************************************************** +beginfont("EN:Chlorsulron","MW:380.648") + MC(<30,Ph,6:/NH2,1:\,SOO,!,NH2,3:\,SOO,!,NH2,4:\,/Cl,60~dl,/Cl,!,Cl) +endfont +%*************************************************************************** +beginfont("EN:Enrofloxacin","MW:359.401") + MC(<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,1:\,|,?6,1:N,4:N,4:/!) +endfont +%*************************************************************************** +beginfont("EN:Fenitrothion","MW:277.23") + MC(<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2) +endfont +%*************************************************************************** +beginfont("EN:Fipronil","MW:437.2") +MC(<30, Ph,{2,4}:/Cl,6:/CF3,3:\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, + -2:\,S,//O,!,CF3) +endfont +%*************************************************************************** +beginfont("EN:Flumequine","MW:261.225") + MC(<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_) +endfont +%*************************************************************************** +beginfont("EN:Imazalil","MW:297.2") + MC(<-30,!2,O,!2,!~dr,1:@,60,|,?5,{2,4}=dl,{1,3}:N,$2:\,|,Ph,{4,6}:/Cl) +endfont %*************************************************************************** beginfont("EN:Imidacloprid","MW:255.662") MC(<30,Ph,1:N,6:/Cl,3:\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)) endfont +%*********************************************************************** +beginfont("EN:Kresoxim-Methyl","MW:313.348") + MC(<30,Ph,3:\,/COO!,!~dr,N,!,O,!,4:\,!,O,!,Ph,-1:/_) +endfont +%*************************************************************************** +beginfont("EN:Nalidixic acid","MW:232.239") + MC(<30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2) +endfont +%*********************************************************************** +beginfont("EN:Oryzalin","MW:346.4") + MC(<30,Ph,{1,3}:/NO2,5:\,SOO,!,NH2,2:\,/!2,N,!3) +endfont +%*********************************************************************** +beginfont("EN:Oxadiazon","MW:345.2") +MC(<30,Ph,{4,6}:/Cl,1:/O!?!,3:\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!) +endfont +%*********************************************************************** +beginfont("EN:Oxadixyl","MW:278.3") + MC(<30,Ph,{2,4}:/_,3:\,N,!1,//O,!2,O,!,7:\,|,?5,1:N,2:O,5://O) +endfont +%*********************************************************************** +beginfont("EN:Oxyfluorfen","MW:361.701") +MC(<30,Ph,6:/CF3,4:/Cl,3:\,O,!,Ph,-3:/NO2,-4:\,O,!2) +endfont +%*************************************************************************** +beginfont("EN:Sulfadimidine","MW:278.33") + MC(<30,Ph,1:/NH2,4:\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_) +endfont +%*************************************************************************** +beginfont("EN:Sulfamerazine","MW:264.303") + MC(<30,Ph,1:/NH2,4:\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_) +endfont +%*************************************************************************** +beginfont("EN:Sulfadoxine","MW:310.328") + MC(<30,Ph,1:/NH2,4:\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!) +endfont +%*************************************************************************** +beginfont("EN:Sulfamethoxazole","MW:253.276") + MC(<30,Ph,1:/NH2,4:\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_) +endfont %*************************************************************************** beginfont("EN:Thiamethoxam","MW:291.71") - MC(<30,?6,{4,6}:N,2:O,6:/_,5://'(N,!,NO2), - 4:\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl) + MC(<30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),4:\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl) +endfont +%*************************************************************************** +beginfont("EN:Thiamphenicol","MW:355") + MC(<30,Ph,1:\,SOO,!,4:\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl) endfont %*************************************************************************** beginfont("EN:Pyridaphenthion","MW:340.334") @@ -48,12 +360,11 @@ beginfont("EN:Permethrin","MW:391.288") endfont %*************************************************************************** beginfont("EN:Isoprothiolane","MW:290.392") - MC(<-30,!,/_,!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,/_,!) + MC(<-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!) endfont %*************************************************************************** beginfont("EN:Oxine-Copper","MW:351.852") - MC(Ph,4:N,5=Ph,-4:\,O,-60,<90,Cu,-90,O,60, - |,Ph,5=Ph,10:N,||, + MC(Ph,4:N,5=Ph,-4:\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, 4:@,12~vf:#,23:@,12~vf:#) endfont %*************************************************************************** @@ -63,65 +374,98 @@ beginfont("EN:Tetraconazole","MW:372.145") endfont %*************************************************************************** beginfont("EN:Endosulfan","MW:406.904"); - MC(<26,?7,7=?6[13],11:@,208~wf`1.45,8~wb:#,10=d,{3,5}:O,4:S,4://O, + MC(<26,?7,7=?6[13],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) endfont; +%*********************************************************************** +beginfont("EN:Uniconazole-P","MW:291.779") + MC(<30,Ph,6:/Cl,3:\,!~dl,!,/OH,!,??!,8:\,|,?5,{2,4}=dl,{1,2,4}:N) +endfont %*************************************************************************** beginfont("EN:Oxadiargyl","MW:341.19") - MC(<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),4:\,|,?5,2=d,{1,2}:N,4:O,5://O,-3:/tBu) + MC(<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),4:\,|,?5,2=dl,{1,2}:N,4:O,5://O,-3:/??!) endfont %*************************************************************************** beginfont("EN:Oxaziclomefone","MW:376.277") - MC(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,4:\,/_^35,/_^-35,!,|,Ph,{3,5}:/Cl) + MC(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,4:\,??,!,|,Ph,{3,5}:/Cl) +endfont +%*************************************************************************** +beginfont("EN:Trimetoprim","MW:290.323") + MC(<30,Ph,{1,5}:N,{2,6}:/NH2,3:\,!,|,Ph,{3,4,5}:/O!) +endfont +%*************************************************************************** +beginfont("EN:Ciprofloxacin","MW:331.347") + MC(<30,Ph,-4=?6,9=dl,7:N, + 6:/F,7:/?3,9:/COOH,10://O,1:\,|,?6,1:N,4:NH) +endfont +%*************************************************************************** +beginfont("EN:Danofloxacin","MW:357.385") + MC(<30,Ph,-4=?6,9=dl,7:N, + 6:/F,7:/?3,9:/COOH,10://O, + 1:\,|,?6,2:@,-200`1.1,5:#,{1,4}:N,4:*/_) +endfont +%*************************************************************************** +beginfont("EN:Marbofloxacin","MW:362.361") + MC(<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!) +endfont +%*************************************************************************** +beginfont("EN:Ofloxacin","MW:361.373") + MC(<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:/_) +endfont +%*************************************************************************** +beginfont("EN:Ormetoprim","MW:274.324") + MC(<30,Ph,{1,5}:N,{2,6}:/NH2,3:\,!,|,Ph,2:/_,{4,5}:/O!) endfont %*************************************************************************** beginfont("EN:Amoxicillin","MW:365.4042") MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, 4:*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH) endfont %*************************************************************************** beginfont("EN:Ampicillin","MW:349.405") MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, 4:*\^15,NH,!,//O,!,/*NH2,!,Ph) endfont %*************************************************************************** beginfont("EN:Benzyl-Penicillin","MW:334.4") MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, 4:*\^15,NH,!,//O,!,!,Ph) endfont %*************************************************************************** beginfont("EN:Mecillinam","MW:325.4264") MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, 4:*\^15,N,!!,!,?7,-7:N) endfont %*************************************************************************** beginfont("EN:Nafcillin","MW:414.4748") MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, 4:*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2) endfont %*************************************************************************** beginfont("EN:Oxacillin","MW:401.4363") MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 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) endfont %*************************************************************************** beginfont("EN:Cloxacillin","MW:435.8813") MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 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) endfont %*************************************************************************** beginfont("EN:Dicloxacillin","MW:470.3264") MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 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) endfont @@ -132,11 +476,11 @@ beginfont("EN:Cefalexin","MW:347.3889") 4:*\^15,NH,!,//O,!,*/NH2,!,Ph) endfont %*************************************************************************** -beginfont("EN:Cefalonium","MW:459.5107") +beginfont("EN:Cefalonium","MW:458.5107") MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,5:/*COOH, + 3^45:/*H,1://O^15,5:/*COO[-1], 4:*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S, - 6:\,!,|,Ph,1:N,4:\,//O,!,NH2) + 6:\,!,|,Ph,1:N,1:&"+"^180,4:\,//O,!,NH2) endfont %*************************************************************************** beginfont("EN:Cefazorin","MW:454.51") @@ -146,11 +490,11 @@ beginfont("EN:Cefazorin","MW:454.51") 6:\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N) endfont %*************************************************************************** -beginfont("EN:Cefquinome","MW:529.6") +beginfont("EN:Cefquinome","MW:528.6") MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,5:/*COOH, + 3^45:/*H,1://O^15,5:/*COO[-1], 4:*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, - 6:\,!,Ph,-2=?6,-10:N) + 6:\,!,Ph,-2=?6,-10:N,-10:&"+"^180) endfont %*************************************************************************** beginfont("EN:Ceftiofur","MW:523.5626") @@ -205,14 +549,6 @@ beginfont("EN:Fradiomycin","MW:614.644") -2:\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60) 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:Streptmycin","MW:581.574") MC(<54,?5,3:O,4:/*_,5:/OH^35, 1:\*,O,-24~wb,?6,-5:O, @@ -222,20 +558,54 @@ beginfont("EN:Streptmycin","MW:581.574") 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],-2:@,?6,-6=wf,-1=zb,-5=dl, + {-1,-6}:O,-3:*/_,-2:\,*/_,!2, + 17:/_,19:/*_,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") + MC(<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?!) +endfont +%*************************************************************************** beginfont("EN:Spiramycin","MW:843.1") MC(<-90,|=1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,1:#,=|, {12,14}=dl,2:O,{1,10^-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:*/_, + -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) endfont %*************************************************************************** +beginfont("EN:Natamycin","MW:665.733") + MC(<-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:/*_) +endfont +%*************************************************************************** beginfont("EN:Tylocin","MW:916.10") 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:/*_,-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:*/_, + 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) endfont @@ -244,38 +614,35 @@ beginfont("EN:Tilmicosin","MW:869.133") 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,{3,11}://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:*/_, + 7:\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_, 8:\*,!2,?6`.7,-6:N,{-2,-4}:*/_) endfont %*************************************************************************** -beginfont("EN:Chlortracyclin","MW:478.88") +beginfont("EN:Chlortetracyclin","MW:478.88") MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl, - {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N!_,17:\,//O,!,NH2 + {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ) endfont %*************************************************************************** beginfont("EN:Oxytetracyclin","MW:460.434") MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH, - {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N!_,17:\,//O,!,NH2 - ) + {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2) endfont %*************************************************************************** beginfont("EN:Tetracyclin","MW:444.435") MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35, - {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N!_,17:\,//O,!,NH2 - ) + {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2) endfont %*************************************************************************** beginfont("EN:Doxycyclin","MW:444.43") MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_, - {5,13~wf^60,11~wf,14,16}:/OH,15:*/N!_,17:\,//O,!,NH2 - ) + {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,17:\,//O,!,NH2) endfont %*************************************************************************** beginfont("EN:Tiamulin","MW:493.74") MC(<-45.5,?8,-3=?5,8:@,|=.8,-210~zf,/_^60,45,56,=|,6:#~zb, - {3^-45,5,8}:*/_,3:\*^30,!~dl,4:/*OH,11://O,7:*/H^60,||, - 1:\^15,O,!,//O,!2,S,60,60,-60,N,/!,60,-60) + {3^-45,5,8}:*/_,3:\*^30,!~dl,4:/*OH,11://O,7:*/H^60, + 1:\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60) endfont %*************************************************************************** beginfont("EN:Rifampicin","MW:822.94") @@ -284,7 +651,12 @@ beginfont("EN:Rifampicin","MW:822.94") |=1,-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!,-6:@,-30,O,!,//O,!,$11:\,!!,N,!,|,?6,{1,4}:N,4:/_) + -4:/*O!,-6:@,-30,O,!,//O,!,$11:\,!!,N,!,|,?6,1:N,4:N!) +endfont +%*************************************************************************** +beginfont("EN:Trenbolone","MW:270.37") + MC(<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl, + 1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60) endfont %*************************************************************************** beginfont("EN:Luciferin","MW:280.33") @@ -293,46 +665,11 @@ endfont %*************************************************************************** beginfont("EN:Chlorophyll a","MW:893.509") MC(<54,|=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N, - -2:\,54~dl,|,?5,2=d,5:N,-2:\~dl,54,|,?5,5=d,5:N,-2:\~dl,$5:#, + -2:\,54~dl,|,?5,2=dl,5:N,-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:#, -1:@,24,/*COO!^15,72,//O,$1:#,=|,||, {2,9,15,20~zf}:/_,8:/!,14:\,!!, 4:\`1.45,Mg,17:#,-1:@,11~vb:#,-1:@,23~vb:#, - 21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ - ) -endfont -%************************************************************************** -beginfont("EN:Gibberellin A3","MW:346.379"); - MC(<18,?5,3=?7,5=?6[12],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) -endfont; -%************************************************************************** -beginfont("EN:Cholesterol","MW:386.664") - MC(<30,?6,{-4,-2}=?6,-4=?5,7=dl, - 1:*/OH,{4,12}:*/_^60, - 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,-1:@,17,/*_,!4,/_,!) -endfont -%*************************************************************************** -beginfont("EN:Lycorine","MW:287.315") - MC(<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) -endfont -%************************************************************************** -beginfont("EN:Tetrodotoxine","MW:319.27") - MC(|=1,<60,-90,60,-30`1.15,150,60,$1:#,$3:@,-135,60,-30`1.15,150,$4:#, - $10:\,O,60`1.33,60,$3~si_:#,$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) -endfont -%*************************************************************************** -beginfont("EN:beta-Carotene","MW:536.888") - MC(<30,?6,3=dl,{3,5^35,5^-35}:/_, - 4:\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_, - |,?6,6=dl,{6,2^35,2^-35}:/_) -endfont -%************************************************************************** -beginfont("EN:alfa-Tocopherol","MW:430.717") - MC(<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,8:\,|,!12,{4,8}:/*_,12:/_) + 21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_) endfont %************************************************************************** beginfont("EN:Quercetin","MW:302.24") @@ -342,7 +679,7 @@ endfont beginfont("EN:Limonin","MW:470.518") MC(<30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, {13,15,17,20}:O,{3,12,21}://O, - {4~wf^60,8~zf^60,18^35,18^-35}:/_,{1^60,5^180,16^60}:/*H, + {4~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H, 14:\*,|,?5,{1,4}=dl,3:O) endfont %************************************************************************** @@ -352,27 +689,12 @@ beginfont("EN:Cromolyn","MW:468.37") endfont %************************************************************************** beginfont("EN:Emetine","MW:480.649") - MC(<30,Ph,{-4,-4}=?6, - 8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H, - -3:\,!~zb,<-60,|,?6,5=d,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!) -endfont -%*************************************************************************** -beginfont("EN:Colchicine","MW:399.443") - MC(<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!, - 9:\,NH,!,//O,!) -endfont -%*************************************************************************** -beginfont("EN:Caffeine","MW:194.194") - MC(<30,?6,3=d,{2,6}:N,{2,6}:/_,{1,5}://O,|,-4=?5,2=dl,{1,3}:N,3:/_) + MC(<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!) endfont %************************************************************************** beginfont("EN:Acronycine","MW:321.376") - MC(<30,Ph,|,-4=?6,1:N,4://O,,1:/_,-3=Ph2,-1:/O!, - |,-4=?6,2=d,4:O,-2^-35:/_,-2^35:/_) -endfont -%*************************************************************************** -beginfont("EN:Ibotenic acid","MW:158.113") - MC(<18,?5,4=d,3:O,2:NH,1://O,4:@,-24,/NH2,!,COOH) + MC(<30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??) endfont %************************************************************************** beginfont("EN:Piperine","MW:285.343") @@ -380,18 +702,18 @@ beginfont("EN:Piperine","MW:285.343") endfont %*************************************************************************** beginfont("EN:Febrifugine","MW:301.346") - MC(<30,Ph,|,-4=?6,2=d,{1,3}:N,4://O,$9:\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH) + MC(<30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,$9:\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH) endfont %*************************************************************************** beginfont("EN:Mitomycine C","MW:334.332") - MC(<30,?6,{3,6}=dl,{2,5}://O,1:/_,|,-4=?5,1:N, - $6:/NH2,|,-3=?5,|,-2=?3,-1=wb,-2=wf,-1:NH, - $8:/*O!^35,$9:@,17.9`1,!,O,!,//O,!,NH2) + MC(<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) endfont %*************************************************************************** beginfont("EN:Podophyllotoxin","MW:414.41"); MC(<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) + 10:\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H) endfont; %*************************************************************************** beginfont("EN:Warfarin","MW:308.333"); @@ -409,12 +731,7 @@ endfont; beginfont("EN:Reserpine","MW:608.688"); MC(<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:*\,//O,!,O,!) -endfont; -%*************************************************************************** -beginfont("EN:Nicotine","MW:162.23"); - MC(<30,Ph,2:N,4:\,|,?5,2:N,2:/_) + 20:*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr) endfont; %*************************************************************************** beginfont("EN:Rotenone","MW:394.423"); @@ -423,28 +740,24 @@ beginfont("EN:Rotenone","MW:394.423"); endfont; %*************************************************************************** beginfont("EN:Pyrethrin I","MW:328.452"); - MC(<30,?3,{3^35~wf,3^-35~zf}:/_,1:*\,!!,iPr, - 2:\*,//O,!,O,-36~zb,|,?5,-2=d,-1:/_,-3://O,-2:\,!4,{-1,-3}=dl) -endfont; -%*************************************************************************** -beginfont("EN:Erythromycin","MW:733.937"); -MC(<30,|=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,=|,1:#, - 14:O,13:/*!,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, - {6^35,11,12^-35}:*/OH, - $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!_) + MC(<30,?3,{3^35~wf,3^-35~zf}:/_,1:*\,!!,?!, + 2:\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,-2:\,!4,{-1,-3}=dl) endfont; +%*********************************************************************** +beginfont("EN:Oseltamivir","MW:312.40") + MC(<30,?6,3=dl,6:*/NH2,1:\*,NH,!,//O,!,2:*\,!,/!,!2,4:\,//O,!,O,!2) +endfont %************************************************************************** beginfont("EN:Paclitaxel","MW:853.918") - MC(?6,5=d,3:@,|=1,36,45,45,45,45,=|,$5:#,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, - {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, - $1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, - $7:\*,O,-45,//O,60,Ph,$11:*\,O,-60,//O,60,$12:\*^-15,O,60,//O,-60) + MC(?6,5=dl,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) endfont %************************************************************************** beginfont("EN:Mevastatin","MW:390.52") - MC(<30,?6,2=d,4:*/H^60,|,-4=?6,2=d,$9:*/_, - $10:*\,!,60~wb,|,?6,6:O,-2://O,-4:/*OH,$5:\*,O,60,//O,!,*/_,!2) + MC(<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_, + 10:*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,5:\*,O,60,//O,!,*/_,!2) endfont %*************************************************************************** beginfont("EN:Sesamine","MW:354.35") @@ -453,12 +766,8 @@ endfont %************************************************************************** beginfont("EN:Morphine","MW:285.343") MC(<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=d,6:/OH,8^180:*/H,12:/*OH) -endfont -%************************************************************************** -beginfont("EN:Capsaicin","MW:305.418") - MC(<30,Ph,1:/OH,6:/O!,4:\,!,NH,!,//O,|,!8,-3=d,-1:/_) + 7:@,60~wf`0.75,70~si_`1.3,45,N!,9~wb:#, + 15=dl,6:/OH,8^180:*/H,12:/*OH) endfont %*************************************************************************** beginfont("EN:Quinine","MW:324.424") @@ -468,7 +777,46 @@ endfont %*************************************************************************** beginfont("EN:Atoropin","MW:289.375") MC(<30,O,!,//O,!,!,Ph, - $1:\~zb^-60,|,?7`1.1,6:*\^190`1.25,N,/_,3~wb:#,$3:/!OH~wv) + $1:\~zb^-60,|,?7`1.1,6:*\^190`1.25,N!,3~wb:#,$3:/!OH~wv) +endfont +%*************************************************************************** +beginfont("EN:Colchicine","MW:399.443") + MC(<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!) +endfont +%*************************************************************************** +beginfont("EN:Lycorine","MW:287.315") + MC(<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) +endfont +%*************************************************************************** +beginfont("EN:Ibotenic acid","MW:158.113") + MC(<18,?5,4=dl,3:O,2:NH,1://O,4:@,-24,/NH2,!,COOH) +endfont +%*************************************************************************** +beginfont("EN:illudin S","MW:264.3") + MC(<30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, + {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35) +endfont +%*************************************************************************** +beginfont("EN:Muscarine","MW:174.26") + MC(<18,?5,2:O,1:*/_,5:/*OH,3:*\,48,N,??,!,-1:&"+"^180) +endfont +%*************************************************************************** +beginfont("EN:Psilocybin","MW:284.248") + MC(<30,Ph,3=?5,8=dl,9:NH,2:\,O,-60,P,|||,-1://O^-90,-1:/OH,-1:/OH^90, + 7:\,!,-60,N?!) +endfont +%*************************************************************************** +beginfont("EN:Tetrodotoxine","MW:319.27") + MC(|=1,<60,-90,60,-30`1.15,150,60,1:#,3:@,-135,60,-30`1.15,150,4:#, + 10:\,O,60`1.33,60,$3~si_:#,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) +endfont +%*************************************************************************** +beginfont("EN:Aflatoxin B1","MW:312.27") + MC(<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) endfont %*************************************************************************** bye diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex 80a8a5343d8..b0dbe23357c 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index fcda26a9b84..c09fbd17f2c 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -75,10 +75,3 @@ %------------------------------------------------------------------------ \end{document} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -tnum=5 \\ \tnum=0 \fi% -\fi% -\ifCONT@ \repeat% -\closein\@auxf% -%------------------------------------------------------------------------ -\end{document} -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index 3379b252225..aca042c93dc 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,8 +1,8 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2020.12.12 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.54 or later -message "mcf_man_soc 2020.12.12"; message ""; +input mcf2graph.mf; %% it must be version 4.55 or later +message "mcf_man_soc 2021.01.03"; message ""; %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; @@ -22,11 +22,11 @@ beginfont("EN:L-Alanine") endfont %*********************************************************************** beginfont("EN:L-Valine") - MC(<30,NH2,!~wb,/iPr,!,COOH) + MC(<30,NH2,!~wb,/!?!,!,COOH) endfont %*********************************************************************** beginfont("EN:L-Leucine") - MC(<30,NH2,!~wb,/!iPr,!,COOH) + MC(<30,NH2,!~wb,/!?!,!,COOH) endfont %*********************************************************************** beginfont("EN:L-Isoleucine") @@ -46,7 +46,7 @@ beginfont("EN:L-Cysteine") endfont %*********************************************************************** beginfont("EN:L-Methionine") - MC(<30,NH2,!~wb,/'(!2,SMe),!,COOH) + MC(<30,NH2,!~wb,/'(!2,S,!),!,COOH) endfont %*********************************************************************** beginfont("EN:L-Phenylalanine") @@ -487,7 +487,7 @@ beginfont("EN:group 5") endfont %*********************************************************************** beginfont("EN:chain strech direction mode 1") - fsize:=(60mm,45mm); + fsize:=(50mm,35mm); sw_trimming:=1; ratio_chain_ring:=1; MC( @@ -507,41 +507,45 @@ beginfont("EN:chain strech direction mode 2") endfont %*********************************************************************** beginfont("EN:chain strech direction mode 3") - fsize:=(40mm,25mm); + fsize:=(40mm,20mm); sw_trimming:=1; - ratio_chain_ring:=1; - MC(<30,!6,6>45:/!3) + MC(<30,!4,2:/!6>30,4:/!4>-45) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 4") - fsize:=(60mm,25mm); + fsize:=(60mm,22mm); sw_trimming:=1; - ratio_chain_ring:=1; MC(<30,!6,6>'(90,-90,90,-90,90):/!5) endfont %*********************************************************************** beginfont("EN:change atom and group") + fsize:=(60mm,12mm); + sw_trimming:=1; + MC(<-30,!2,NH,!2,N!,!2,N!2,!2,SO,!2,SOO,!) +endfont +%*********************************************************************** +beginfont("EN:methyl*2,isopropyl,tert-butyl") fsize:=(60mm,15mm); sw_trimming:=1; - MC(<-30,!2,NH,!2,SO,!2,SOO,!) + MC(<30,!9`1,?!,!,??,!,2:??,4:/?!,6:/??!,8:/N?!) endfont %*********************************************************************** beginfont("EN:Make brock") - fsize:=(60mm,15mm); + fsize:=(60mm,10mm); % sw_trimming:=1; sw_numberB:=1; MC(<-30,!2,|=1.2,!4,=|,!2) endfont %*********************************************************************** beginfont("EN:User definition") - fsize:=(60mm,20mm); + fsize:=(60mm,15mm); sw_trimming:=1; iBuOH:='(!,/_,!,OH); MC(<30,?6,{4,6}:/iBuOH) endfont %*********************************************************************** beginfont("EN:Inline definition") - fsize:=(60mm,20mm); + fsize:=(60mm,15mm); fmargin:=(2mm,1mm); sw_trimming:=1; MC(<30,!8,{2,6}:/'(!,/_,!,OH)) @@ -1118,7 +1122,7 @@ beginfont("EN:Paclitaxel","MW:853.91") MC( ?6,5=dl,3:@,|=1,36,45,45,45,45,=|, $5:#,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, - {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60, + 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60, 9:*/_^60,10://O, 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60, @@ -1151,15 +1155,15 @@ beginfont("EN:Quinine","MW:324.42") MC( <30,Ph,3=Ph,7:N,6:/O!, 10:\,*/OH,/H~zf^-60,!, - |,?6,2:N,1:*/H^60,4:*\,!!, + |,?6,2:N,1:*/H^60,4:*/!!, 2:@,165~zf,60,5~zb:# ) endfont -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%*************************************************************************** beginfont("EN:Ampicillin","MW:349.405") fsize:=(60mm,15mm); MC(<45,?4,-3=?5,2:N,7:S, - {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,6:??, 4:*\^75,NH,!,//O,!,/*NH2,!,Ph) endfont %*************************************************************************** @@ -1169,7 +1173,7 @@ beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65") <30,?6,{-4,-2}=?6,-4=?5,7=dl, 1:*/OH,{4,12}:*/_^60,9:*/H^60, 10:/*H^180,11:/*H^-60,17:/*H^-54, - -1:@,18,/*_,-60,!3,/_,! + -1:@,18,/*_,-60,!3,?! ) endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex 297af90c25d..848ca9fe42b 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index f879fd6ab7e..2573d33c6d3 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2020.12.12 +% Molecular Coding Format manual by Akira Yamaji 2021.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%%\documentclass[a4paper,twoside]{article} @@ -485,12 +485,12 @@ exact mass, molecular formula. \subsubsection{Insert group} \begin{verbatim} / : single - <-30,!,/Me,!,/Et,!3,/Pr,!,/iPr, - !3,/tBu,!,/Ph^-30,! + <-30,!,/_,!,/!,!3,/!2,!,/?!, + !3,/??!,!,/Ph^-30,! - ** Me:methyl(/_) Et:ethyl(/!) - Pr:propyl(/!2) iPr:isopropyl - tBu:tertial buthyl Ph:phenyl + ** /_ : methyl /! : ethyl + /!2 : propyl /?! : isopropyl + /??! : tert-butyl /Ph : phenyl \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -533,7 +533,7 @@ exact mass, molecular formula. \subsubsection{Add group} \begin{verbatim} <30,!17,2:/_,4:/!,6:/!2, - 10:/iPr,14:/tBu,16:/Ph^-60 + 10:/?!,14:/??!,16:/Ph^-60 \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -585,9 +585,12 @@ exact mass, molecular formula. \subsubsection{Fixed rotate angle} \index{\textgreater}% \begin{verbatim} - >45 : rotate 45 + >n : rotate n + + <30,!4, + 2:/!6>30, % 2:\,30,30,30,30,30,30 + 4:/!4>-45 % 4:\,-45,-45,-45,-45 - <30,!6,6>45:/!3 \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -601,28 +604,38 @@ exact mass, molecular formula. %----------------------------------------------------------------------------- \subsection{Miscellaneous} %----------------------------------------------------------------------------- -\subsubsection{} +\subsubsection{Abbreviated parts} +\index{N!}% +\begin{verbatim} + NH : N,/H~nl + N! : N,/_ + N!2 : N,/! + SO : S,//O + SOO : S,//O^35,//^-35 + + <-30,!2,NH,!2,N!,!2,N!2,SO,!2,SOO,! +\end{verbatim} +\MCFgraph +\index{?!}% +\index{??}% \begin{verbatim} - NH,SO,SOO : - insert hetero atom and group - simultaneously + ?! : /_,! + ?? : /_^35,/_-35 + /?! : isopropyl + /??! : tert-butyl + /N?! : dimethylamino - <-30,!2,NH,!,SO,!,SOO,! - <-30,!4,3:NH,5:SO,7:SOO + <30,!9`1,?!,!,??,!, + 2:??,4:/??,6:/??!,8:/N?! \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- \subsubsection{Make block} -\index{\textbar\textless \textgreater\textbar}% |< \index{\textbar= =\textbar}% |= \begin{verbatim} - |< : start brock - >| : end brock - |= : start brock / bond length=n =| : end brock - <-30,!2,|<,``1.2,!4,>|,!2 <-30,!2,|=1.2,!4,=|,!2 \end{verbatim} \MCFgraph @@ -641,8 +654,7 @@ exact mass, molecular formula. <30,!, /'(!,/_,!,OH), !4,/'(!,/_,!,OH),!3 - <30,!8, - {2,6}:/'(!,/_,!,OH) + <30,!8,{2,6}:/'(!,/_,!,OH) \end{verbatim} \MCFgraph %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -1366,8 +1378,7 @@ beginfont("EN:Paclitaxel","MW:853.91") 1:\,O,!,//O,!,*/OH,!,/Ph, 60~wf,NH,-60,//O,60,Ph, 7:\*,O,-45,//O,60,Ph, - 11:*\,O,-60,//O,60, - 12:\*^-15,O,60,//O,-60 + 11:*/OCO!>rl,12:/*OCO!^-15>lr ) endfont \end{verbatim} @@ -1408,13 +1419,13 @@ beginfont("EN:Quinine","MW:324.42") MC( <30,Ph,3=Ph,7:N,6:/O!, 10:\,*/OH,/H~zf^-60,!, - |,?6,2:N,1:*/H^60,4:*\,!!, + |,?6,2:N,1:*/H^60,4:*/!!, 2:@,165~zf,60,5~zb:# ) endfont \end{verbatim} \MCFgraph -%----------------------------------------------------------------------------- +%------------------------------------------------------------------------ \onecolumn \section{Example to use mcf2graph} \subsection{Molecular definition file} @@ -1436,8 +1447,7 @@ outputtemplate:="%j-%3c.png"; > %------------------------------------------------------------------------- beginfont("N:1","EN:Ampicillin") > begin font(information) MC(<45,?4,2:N,2=?5,-1:S, > begin MCF (1) - {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18, > - {6^35,6^-35}:/_, > + {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,6:??, > 4:@,75,NH,!,//O,!,/*NH,!,Ph) > end MCF endfont > end font %------------------------------------------------------------------------ @@ -1445,7 +1455,7 @@ beginfont("N:2","EN:Cholesterol") > begin font(information) MC(<30,?6,{-4,-2}=?6,-4=?5,7=dl, > begin MCF (2) 1:*/OH,{4,12}:*/_^60,9:*/H^60, > 10:/*H^180,{11,-1}:/*H^-60, > - -1:@,17,/*_,!4,/_,!) > end MCF + -1:@,17,/*_,!4,?!) > end MCF endfont > end font %------------------------------------------------------------------------ beginfont("N:3","EN:Limonin") > begin font(information) @@ -1461,7 +1471,7 @@ beginfont("N:4","EN:beta-carotene) > begin font(information) MC(<30,?6,3=dl,{3,5^35,5^-35}:/_, > begin MCF (4) 4:\,|,!18,{1,3,5,7,9,11,13,15,17}=dr, > {3,7,12,16}:/_, > - |,?6,6=dl,{6,2^35,2^-35}:/_) > end MCF + |,?6,6=dl,2:??,6:/_) > end MCF endfont > end font %------------------------------------------------------------------------ bye @@ -1735,15 +1745,15 @@ endfont; %-------------------------------------------------------------------- \begin{document} \unitlength=1mm% -\INFO{F:mcf_man_soc,C:139,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% -\INFO{F:mcf_man_soc,C:140,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% +\INFO{F:mcf_man_soc,C:140,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% +\INFO{F:mcf_man_soc,C:141,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% \end{document} %-------------------------------------------------------------------- \end{verbatim}% %############################################################################ %------------------------------------------------------------------------ -\INFO{F:mcf_man_soc,C:139,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% -\INFO{F:mcf_man_soc,C:140,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% +\INFO{F:mcf_man_soc,C:140,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% +\INFO{F:mcf_man_soc,C:141,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% %------------------------------------------------------------------------ \printindex %------------------------------------------------------------------------ diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex ff808a4acea..c901af300b6 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex index 1dd167811ed..520379ffe16 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2020.12.12 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%% mcf2graph.mf it must be version 4.54 or later +%%% mcf2graph.mf it must be version 4.55 or later \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% @@ -174,7 +174,7 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93"); 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, $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!_ + $5:\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ) endfont; \end{verbatim} @@ -187,7 +187,7 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93"); 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, $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!_ + $5:\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ) ext( defaultscale:=0.8; @@ -204,10 +204,10 @@ endfont; beginfont("EN:Paclitaxel","MW:853.918") fsize:=(120mm,35mm); MC( - ?6,5=d,3:@,|=1,36,45,45,45,45,=|,$5:#,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, - {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, + ?6,5=d,3:@,|=1,36,45,45,45,45,=|,5:#,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, + 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, - 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60,12:\*^-15,O,60,//O,-60 + 7:\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ) endfont \end{verbatim} @@ -216,10 +216,10 @@ endfont beginfont("EN:Paclitaxel","MW:853.918") fsize:=(120mm,35mm); MC( - ?6,5=d,3:@,|=1,36,45,45,45,45,=|,$5:#,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, - {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, + ?6,5=d,3:@,|=1,36,45,45,45,45,=|,5:#,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, + 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, - 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60,12:\*^-15,O,60,//O,-60 + 7:\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ) ext( defaultscale:=0.8; @@ -239,11 +239,11 @@ endfont 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, - Ph,-4:/Cl,-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,-3:\,/*OH,*/H^-60,$1:#, - $7:@,$26:#,$1:@,60,//O,60,NH,60,/*H,*/COOH^180,-60, - Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-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,!,NH2,13:*\,NH,!,//O,!,/!iPr^-35>60,*/H^60,!~zf,NH,!, + Ph,-4:/Cl,-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,-3:\,/*OH,*/H^-60,1:#, + 7:@,26:#,$1:@,60,//O,60,NH,60,/*H,*/COOH^180,-60, + Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-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,!,NH2,13:*\,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; @@ -253,11 +253,11 @@ endfont; 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,-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,-3:\,/*OH,*/H^-60,$1:#, - $7:@,$26:#,$1:@,60,//O,60,NH,60,/*H,*/COOH^180,-60, - Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-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,!,NH2,13:*\,NH,!,//O,!,/!iPr^-35>60,*/H^60,!~zf,NH,!, + Ph,-4:/Cl,-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,-3:\,/*OH,*/H^-60,1:#, + 7:@,26:#,$1:@,60,//O,60,NH,60,/*H,*/COOH^180,-60, + Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-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,!,NH2,13:*\,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) ext( |