diff options
Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 321 |
1 files changed, 175 insertions, 146 deletions
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 0f99177e283..3a2da782e28 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,128 +1,134 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.02.11 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.02.21 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.57 -message "mcf_man_soc 2021.01.31"; message ""; +input mcf2graph.mf; %% it must be version 4.578 +message "mcf_man_soc 2021.02.21"; message ""; %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; %%%%sw_aux_out:=0; %%%%sw_rep_out:=1; -%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) +%%%%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) +%%%%ext(defaultscale:=.5; label.bot(mc,(.5w,0));) %*********************************************************************** fsize:=(40mm,25mm); blength:=6mm; %*********************************************************************** -beginfont("EN:Glycine") - MC(<30,NH2,!2,COOH) +beginfont("EN:Glycine",":<30,NH2,!2,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Alanine") - MC(<30,NH2,!~wb,/_,!,COOH) +beginfont("EN:L-Alanine",":<30,NH2,!~wb,/_,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Valine") - MC(<30,NH2,!~wb,/!?!,!,COOH) +beginfont("EN:L-Valine",":<30,NH2,!~wb,/!?!,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Leucine") - MC(<30,NH2,!~wb,/!?!,!,COOH) +beginfont("EN:L-Leucine",":<30,NH2,!~wb,/!?!,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Isoleucine") - MC(<30,NH2,!~wb,/'(/*_,!2),!,COOH) +beginfont("EN:L-Isoleucine",":<30,NH2,!~wb,/'(/*_,!2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Serine") - MC(<30,NH2,!~wb,/!OH,!,COOH) +beginfont("EN:L-Serine",":<30,NH2,!~wb,/!OH,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Threonine") - MC(<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH) +beginfont("EN:L-Threonine",":<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Cysteine") - MC(<30,NH2,!~wb,/!SH,!,COOH) +beginfont("EN:L-Cysteine",":<30,NH2,!~wb,/!SH,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Methionine") - MC(<30,NH2,!~wb,/'(!2,S,!),!,COOH) +beginfont("EN:L-Methionine",":<30,NH2,!~wb,/'(!2,S,!),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Phenylalanine") - MC(<30,NH2,!~wb,/!Ph,!,COOH) +beginfont("EN:L-Phenylalanine",":<30,NH2,!~wb,/!Ph,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Tyrosine") - MC(<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH) +beginfont("EN:L-Tyrosine",":<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Triptophan") - MC(<30,NH2,!~wb,!,COOH,@2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH) +beginfont("EN:L-Triptophan", + ":<30,NH2,!~wb,!,COOH,@2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Prorine") - MC(<18,?5,3:NH,4:*/COOH) +beginfont("EN:L-Prorine",":<18,?5,3:NH,4:*/COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Glutamine") - MC(<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!,//O,!,NH2) +beginfont("EN:L-Glutamine", + ":<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!,//O,!,NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Asparagine") - MC(<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH) +beginfont("EN:L-Asparagine",":<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Aspartic acid") - MC(<30,NH2,!~wb,/!COOH,!,COOH) +beginfont("EN:L-Aspartic acid",":<30,NH2,!~wb,/!COOH,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Glutamic acid") - MC(<30,NH2,!~wb,/'(!2,COOH),!,COOH) +beginfont("EN:L-Glutamic acid",":<30,NH2,!~wb,/'(!2,COOH),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Lysine") - MC(<30,NH2,!~wb,/'(!4,NH2),!,COOH) +beginfont("EN:L-Lysine",":<30,NH2,!~wb,/'(!4,NH2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Arginine") - MC(<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!2,NH,!,//NH,!,NH2) +beginfont("EN:L-Arginine", + ":<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!2,NH,!,//NH,!,NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Hystidine") - MC(<30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH) +beginfont("EN:L-Hystidine", + ":<30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-DOPA") - MC(<30,NH2,!~wb,!,COOH,@2,\,!,Ph,{-3,-4}:/OH) +beginfont("EN:L-DOPA",":<30,NH2,!~wb,!,COOH,@2,\,!,Ph,{-3,-4}:/OH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:Ornithine") - MC(<30,NH2,!~wb,/'(!3,NH2),!,COOH) +beginfont("EN:Ornithine",":<30,NH2,!~wb,/'(!3,NH2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:Citrulline") - MC(<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH) +beginfont("EN:Citrulline",":<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:GABA") - MC(<30,NH2,!4,COOH) +beginfont("EN:GABA",":<30,NH2,!4,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:amino Levulinic acid") - MC(<30,NH2,!2,//O,!3,COOH) +beginfont("EN:amino Levulinic acid",":<30,NH2,!2,//O,!3,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:4-amino benzoic acid") - MC(<30,Ph,1:/NH2,4:/COOH) +beginfont("EN:4-amino benzoic acid",":<30,Ph,1:/NH2,4:/COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Carboxyl glutamic acid") - MC(<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH) +beginfont("EN:L-Carboxyl glutamic acid", + ":<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Hydroxy Prorine") - MC(<18,?5,1:/OH,3:NH,4:*/COOH) +beginfont("EN:L-Hydroxy Prorine",":<18,?5,1:/OH,3:NH,4:*/COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -376,7 +382,7 @@ endfont beginfont("EN:Charged atom") sw_trimming:=1; fsize:=(60mm,12mm); - MC(<-30,!2,N,??,"+",!2,S,"-"^180,!6,7:N,7:??,9:S,7:"+",9:"-"^180) + MC(<-30,!2,N,??,p_,!2,S,n_^180,!6,7:N,7:??,9:S,7:p_,9:n_^180) endfont %*********************************************************************** beginfont("EN:fused ring") @@ -883,25 +889,25 @@ beginfont("EN:Switwch bondtype off") endfont %*********************************************************************** beginfont("EN:Switwch font frame 1") - fsize:=(40mm,10mm); + fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_fframe:=1; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 2") - fsize:=(40mm,10mm); + fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_fframe:=2; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 3") - fsize:=(40mm,10mm); + fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_fframe:=3; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 4") - fsize:=(40mm,10mm); + fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_fframe:=4; MC(<30,Ph) @@ -962,23 +968,33 @@ endfont %----------------------------------------------------------------------- beginfont("EN:MCat()") defaultsize:=5bp; - fsize:=(75mm,75mm); + fsize:=(40mm,40mm); fmargin:=(3mm,3mm); - blength:=0.07; + blength:=0.1; sw_fframe:=1; mangle:=0; - for i=1 step -0.25 until 0: - for j=0 step 0.25 until 1: + for i=1 step -0.5 until 0: + for j=0 step 0.5 until 1: MCat(j,i)(Ph,4:N) add( drawarrow((A1+A1up**aw)..A1); label(decimal(mangle),p0+(0.5w,0.5h)); ) - mangle:=mangle+15; + mangle:=mangle+30; endfor endfor endfont %*********************************************************************** +beginfont("EN:Pyridine",":<30,Ph,2:N") + fsize:=(12mm,12mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%----------------------------------------------------------------------- +beginfont("EN:Pyridine",":<30,Ph,2):N") + fsize:=(12mm,12mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%*********************************************************************** beginfont("EN:add() 1") fsize:=(70mm,43mm); sw_aframe:=sw_mframe:=1; @@ -1097,102 +1113,115 @@ beginfont("EN:?6") endfont defaultsize:=save_defaultsize; %*************************************************************************** -beginfont("EN:Luciferin","MW:280.33") - fsize:=(60mm,20mm); - MC( - <30,Ph,3=?5,@8,\,?5,{9,16}=dl, - {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH - ) +beginfont("EN:Luciferin","MW:280.33", + %--------------------------------------- + ": <30,Ph,3=?5,@8,\,?5,{9,16}=dl, ", + ": {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH ") + %--------------------------------------- + fsize:=(50mm,15mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Colchicine","MW:385.41") - fsize:=(60mm,25mm); - MC( - <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!, - @9,\,NH,!,//O,! - ) +beginfont("EN:Colchicine","MW:385.41", + %--------------------------------------- + ": <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7, ", + ": {-1,-4,-6}=dl,-2://O,-3:/O!, ", + ": @9,\,NH,!,//O,! ") + %--------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** -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:??,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 - ) +beginfont("EN:Paclitaxel","MW:853.91", + %------------------------------------------------------ + ": ?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,*\,O,-60,//O,60, ", + ": @12,\*^-15,O,60,//O,-60 ") + %------------------------------------------------------ + fsize:=(50mm,25mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Lycorine","MW:287.31") - fsize:=(60mm,25mm); - 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:Gibberellin A3","MW:346.37"); - fsize:=(60mm,20mm); - 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 - ) +beginfont("EN:Lycorine","MW:287.31", + %----------------------------------------- + ": <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 ") + %----------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%*********************************************************************** +beginfont("EN:Gibberellin A3","MW:346.37", + %---------------------------------------- + ": <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 ") + %---------------------------------------- + fsize:=(50mm,18mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Quinine","MW:324.42") - fsize:=(60mm,25mm); - MC( - <30,Ph,3=Ph,7:N,6:/O!, - @10,\,*/OH,/H~zf^-60,!, - |,?6,2:N,1:*/H^60,4:*/!!, - @2,165~zf,60,&5~zb - ) +beginfont("EN:Quinine","MW:324.42", + %---------------------------------------- + ": <30,Ph,3=Ph,7:N,6:/O!, ", + ": @10,\,*/OH,/H~zf^-60,!, ", + ": |,?6,2:N,1:*/H^60,4:*/!!, ", + ": @2,165~zf,60,&5~zb ") + %---------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** sw_calc:=1; ext(defaultfont:="uhvr8r"; defaultscale:=.75; - label.urt("NO = "&decimal(char_num),(0.1w,0.60h)); - label.urt("EN = "&inf_EN ,(0.1w,0.56h)); - label.urt("MW = "&inf_MW ,(0.1w,0.52h)); - label.urt("mw = "&cal_MW ,(0.1w,0.48h)); - label.urt("fm = "&cal_FM ,(0.1w,0.44h)); - label.urt("w = "&decimal(w) ,(0.1w,0.40h)); - label.urt("h = "&decimal(h) ,(0.1w,0.36h)); - label.urt("n = "&decimal(n) ,(0.1w,0.32h)); + label.urt("NO = "&decimal(char_num),(0.01w,0.60h)); + label.urt("EN = "&inf_EN ,(0.01w,0.57h)); + label.urt("MW = "&inf_MW ,(0.01w,0.54h)); + label.urt("mw = "&cal_MW ,(0.01w,0.51h)); + label.urt("fm = "&cal_FM ,(0.01w,0.48h)); + label.urt("w = "&decimal(w) ,(0.01w,0.45h)); + label.urt("h = "&decimal(h) ,(0.01w,0.42h)); + label.urt("n = "&decimal(n) ,(0.01w,0.39h)); label.urt("ratio_thickness_bond = "&decimal(ratio_thickness_bond), - (0.1w,0.28h)); + (0.01w,0.36h)); label.urt("ratio_atom_bond = "&decimal(ratio_atom_bond), - (0.1w,0.24h)); + (0.01w,0.33h)); label.urt("ratio_bondgap_bond = "&decimal(ratio_bondgap_bond), - (0.1w,0.20h)); + (0.01w,0.30h)); label.urt("ratio_chain_ring = "&decimal(ratio_chain_ring), - (0.1w,0.16h)); - label.urt("sw_fframe = "&decimal(sw_fframe),(0.1w,0.12h)); - label.urt("sw_aframe = "&decimal(sw_aframe),(0.1w,0.08h)); - label.urt("sw_trimming = "&decimal(sw_trimming),(0.1w,0.04h)); + (0.01w,0.27h)); + label.urt("sw_fframe = "&decimal(sw_fframe),(0.01w,0.24h)); + label.urt("sw_aframe = "&decimal(sw_aframe),(0.01w,0.21h)); + label.urt("sw_trimming = "&decimal(sw_trimming),(0.01w,0.18h)); + label.urt("mc1 ="&mc1,(0.01w,0.12h)); + label.urt("mc2 ="&mc2,(0.01w,0.09h)); + label.urt("mc3 ="&mc3,(0.01w,0.06h)); ) %*************************************************************************** -beginfont("EN:Ampicillin","MW:349.405") - fsize:=(60mm,90mm); - MCat(0.5,1)(<45,?4,-3=?5,2:N,7:S, - {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^75,NH,!,//O,!,/*NH2,!,Ph) +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" +) + fsize:=(72mm,110mm); + blength:=7mm; + if check_mc(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65") - fsize:=(60mm,90mm); - MCat(0.5,1)( - <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,?! - ) +beginfont("EN:Cholesterol","MW:386.65", + ": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ", + ": 10:/*H^180,11:/*H^-60,17:/*H^-54, ", + ": 1:*/OH,{4,12}:*/_^60,@-1,18,/*_,-60,!3,?!") + fsize:=(72mm,110mm); + blength:=7mm; + if check_mc(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% bye |