diff options
author | Karl Berry <karl@freefriends.org> | 2016-10-10 21:14:36 +0000 |
---|---|---|
committer | Karl Berry <karl@freefriends.org> | 2016-10-10 21:14:36 +0000 |
commit | d4bcdd471d32a18a14ce486284c593d3cb90f7a1 (patch) | |
tree | 8b3301a5a777774db2a7d9cc219fd42566b364f5 /Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | |
parent | cdba30a97e1e4d9cd56a7f84e4eea6c0fc2d92f0 (diff) |
mcf2graph (10oct16)
git-svn-id: svn://tug.org/texlive/trunk@42248 c570f23f-e606-0410-a88d-b1316a301751
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 | 688 |
1 files changed, 473 insertions, 215 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 07a530f60c8..be0c4751b1b 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,11 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.08.21 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 3.97 or later -%------------------------------------------------------------------------ -font_wd#:=60mm#;% font width -font_ht#:=40mm#;% font height -max_bond_width:=0.18; +input mcf2graph.mf; %% it must be version 3.98 or later %------------------------------------------------------------------------ sw_auxout:=0; sw_mol_frame:=0; @@ -13,248 +9,420 @@ sw_expand:=0; sw_start_vector:=0; %%%%%sw_checklist:=1; %*********************************************************************** +font_wd#:=35mm#; +font_ht#:=25mm#; +margin_left_right:=2mm; +\max_bond_length#:=10mm#; +ratio_thickness_bond:=0.04; +ratio_atom_bond:=0.5; +%*********************************************************************** +beginfont("EN:Glycine") + MCf(<30,NH2,!0,!,COOH) +endfont +%*********************************************************************** +beginfont("EN:Alanine") + MCf(<30,NH2,!0,/Me,!,COOH) +endfont +%*********************************************************************** +beginfont("EN:Valine") + MCf(<30,NH2,!0,!,COOH,2\,/Me,!) +endfont +%*********************************************************************** +beginfont("EN:Leucine") + MCf(<30,NH2,!0,!,COOH,2\,!,/Me,!) +endfont +%*********************************************************************** +beginfont("EN:Isoleucine") + MCf(<30,NH2,!0,!,COOH,2\,/Me,!2) +endfont +%*********************************************************************** +beginfont("EN:Serine") + MCf(<30,NH2,!0,!,COOH,2\,!,OH) +endfont +%*********************************************************************** +beginfont("EN:Threonine") + MCf(<30,NH2,!0,!,COOH,2\,/Me,!,OH) +endfont +%*********************************************************************** +beginfont("EN:Cysteine") + MCf(<30,NH2,!0,!,COOH,2\,!,SH) +endfont +%*********************************************************************** +beginfont("EN:Methionine") + MCf(<30,NH2,!0,!,COOH,2\,!2,SMe) +endfont +%*********************************************************************** +beginfont("EN:Phenylalanine") + MCf(<30,NH2,!0,!,COOH,2\,!,Ph) +endfont +%*********************************************************************** +beginfont("EN:Tyrosine") + MCf(<30,NH2,!0,!,COOH,2\,!,Ph,-3:/OH) +endfont +%*********************************************************************** +beginfont("EN:Triptophan") + MCf(<30,NH2,!0,!,COOH,2\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH) +endfont +%*********************************************************************** +beginfont("EN:Prorine") + MCf(<18,?5,3:NH,4:/COOH) +endfont +%*********************************************************************** +beginfont("EN:Glutamine") + MCf(<30,NH2,!0,!,COOH,2\`1,-45,-45,//O,!,NH2) +endfont +%*********************************************************************** +beginfont("EN:Asparagine") + MCf(<30,NH2,!0,!,COOH,2\,!,//O,!,NH2) +endfont +%*********************************************************************** +beginfont("EN:Aspartic acid") + MCf(<30,NH2,!0,!,COOH,2\,!,COOH) +endfont +%*********************************************************************** +beginfont("EN:Glutamic acid") + MCf(<30,NH2,!0,!,COOH,2\,!2,COOH) +endfont +%*********************************************************************** +beginfont("EN:Lysine") + MCf(<30,NH2,!0,!,COOH,2\,!4,NH2) +endfont +%*********************************************************************** +beginfont("EN:Arginine") + MCf(<30,NH2,!0,!,COOH,2\,-45,-45,60,NH,!,//NH,!,NH2) +endfont +%*********************************************************************** +beginfont("EN:Hystidine") + MCf(<30,NH2,!0,!,COOH,2\,!,|,?5,$(1,3)dl,3:N,5:NH) +endfont +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +font_wd#:=60mm#; +font_ht#:=35mm#; +ratio_thickness_bond:=0.015; +ratio_atom_bond:=0.36; +sw_font_frame:=1; +margin_left_right:=2mm; +margin_top_bottom:=1mm; +%*********************************************************************** beginfont("EN:Chain 1") + font_ht#:=20mm#; sw_numberB:=1; numberB_end:=6; - max_bond_width:=0.20; ratio_chain_ring:=1; +%---------------------------------------------------------------------- MCf(<30,-60,60,-90,120,-90,60, - @(1^-60,2^60,3^-45,4^30,5^-45,6^60)/Me~dt`.6 + @(1^-60,2^60,3^-45,4^30,5^-45,6^60)/Me~dt`.4 ) endfont %*********************************************************************** beginfont("EN:Chain 2") + font_ht#:=20mm#; sw_numberB:=1; numberB_end:=6; - max_bond_width:=0.20; ratio_chain_ring:=1; +%---------------------------------------------------------------------- MCf(<30,!6, @(1^-60,2^60,3^-60,4^60,5^-60,6^60)/Me~dt`.6 ) endfont %*********************************************************************** beginfont("EN:Jump and Branch") + font_ht#:=20mm#; + margin_top_bottom:=2mm; + sw_clip:=1; sw_numberA:=1; - max_bond_width:=0.20; ratio_chain_ring:=1; +%---------------------------------------------------------------------- MCf(<30,!6,3*,0,!,5*,-30) endfont %*********************************************************************** beginfont("EN:Jump and Branch") + font_ht#:=20mm#; + margin_top_bottom:=2mm; sw_numberA:=1; - max_bond_width:=0.20; + sw_clip:=1; ratio_chain_ring:=1; +%---------------------------------------------------------------------- MCf(<30,!6,3\,!) endfont %*********************************************************************** +beginfont("EN:branch1") + font_ht#:=20mm#; + margin_top_bottom:=2mm; + sw_numberA:=1; + sw_clip:=1; + numberA_end:=9; + ratio_chain_ring:=1; +%---------------------------------------------------------------------- + MCf(<-30,!8,2\,!,4*\,!,6\*,!,8\\,!) +endfont +%*********************************************************************** +beginfont("EN:branch2") + font_ht#:=23mm#; + margin_top_bottom:=2mm; + sw_clip:=1; + sw_numberA:=1; + numberA_end:=7; + ratio_chain_ring:=1; +%---------------------------------------------------------------------- + MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) +endfont +%*********************************************************************** beginfont("EN:Connect atom") + font_ht#:=20mm#; + margin_top_bottom:=2mm; + sw_clip:=1; sw_numberA:=1; - max_bond_width:=0.20; ratio_chain_ring:=1; +%---------------------------------------------------------------------- MCf(<30,!6,3\,!,&5) endfont %*********************************************************************** beginfont("EN:ring") - max_bond_width:=0.25; + font_ht#:=20mm#; + sw_clip:=1; + margin_top_bottom:=3mm; sw_numberB:=1; - sw_start_vector:=1; +%---------------------------------------------------------------------- MCf(?6) endfont %*********************************************************************** beginfont("EN:rotate 1") - max_bond_width:=0.25; + font_ht#:=20mm#; + margin_top_bottom:=3mm; + sw_clip:=1; sw_numberB:=1; - sw_start_vector:=1; - MCf(``1,0~vf,0~vf,<90,0~vf,<-90,0~vf) + numberB_end:=5; + MCf(``1,0,0,<90,0,<-90,0,0,$(1,2,3,4,5)vf,@(3,4^180)/Me~dt`.5) endfont %*********************************************************************** beginfont("EN:change bond 1") + font_wd#:=70mm#; + font_ht#:=15mm#; + sw_clip:=1; ratio_chain_ring:=1; - MCf(<30,!~dm,!~dl,!~dr,!~tm) + margin_top_bottom:=3mm; + MCf(<30,!~dm,!,!~dl,!,!~dr,!,!~tm) endfont %*********************************************************************** beginfont("EN:change bond 2") + font_wd#:=70mm#; + font_ht#:=15mm#; + margin_top_bottom:=3mm; + sw_clip:=1; ratio_chain_ring:=1; - MCf(<30,!~wf,!~wb,!~zf,!~zb,!~vf) + MCf(<30,!~wf,!,!~wb,!,!~zf,!,!~zb) endfont %*********************************************************************** beginfont("EN:change bond 3") + font_ht#:=12mm#; + margin_top_bottom:=3mm; + sw_clip:=1; ratio_chain_ring:=1; - MCf(<30,!5,1=vb,2=dt,3=wv,4=bd,5=bz) + MCf(<30,!~vf,!,!~vb) +endfont +%*********************************************************************** +beginfont("EN:change bond 3") + font_wd#:=70mm#; + sw_clip:=1; + ratio_chain_ring:=1; + margin_top_bottom:=3mm; + MCf(<30,!7,1=dt,3=wv,5=bd,7=bz) endfont %*********************************************************************** beginfont("EN:change bond 4") + margin_top_bottom:=3mm; + sw_clip:=1; ratio_chain_ring:=1; MCf(<30,!7,$(2,4,6)dr) endfont %*********************************************************************** beginfont("EN:over line") + sw_clip:=1; + font_ht#:=20mm#; ratio_chain_ring:=1; - max_bond_width:=0.25; - MCf(<-30,!8`.4,!`.2,60`.6,90`3,@(2~si_,4~wf_,6~wb_,8~bd_)/Me`1) + MCf(<-30,!8,!,60,90`8,@(2~si_,4~wf_,6~wb_,8~bd_)/Me`2) endfont %*********************************************************************** beginfont("EN:change bond length1") - sw_start_vector:=1; + font_ht#:=15mm#; sw_numberB:=1; MCf(<30,!2,!2`1.2,!2) endfont %*********************************************************************** beginfont("EN:change bond length2") - sw_start_vector:=1; + font_ht#:=15mm#; sw_numberB:=1; MCf(<30,!2,``1.2,!4) endfont %*********************************************************************** -beginfont("EN:Make brock") - sw_start_vector:=1; - sw_numberB:=1; - MCf(<30,!2,{,``1.2,!2,},!2) -endfont -%*********************************************************************** beginfont("EN:change ring length") - sw_start_vector:=1; + font_ht#:=25mm#; + sw_clip:=1; MCf(?6,4\,?6`1.2,5=?6,11=?6) endfont %*********************************************************************** -beginfont("EN:change atom 1") - sw_start_vector:=1; +beginfont("EN:Insert atom") + sw_clip:=1; + font_ht#:=10mm#; MCf(<30,!2,O,!2,N,!2) endfont %*********************************************************************** -beginfont("EN:change atom 2") - MCd(1,1)(.5,.8)(<30,!6,2:O,@(3,5)N) - sw_numberA:=1; - MCd(1,1)(.5,.2)(<30,!6,2:O,@(3,5)N) -endfont -%*********************************************************************** -beginfont("EN:change atom 3") - MCd(.7,1)(.5,1)(?6,4\,?6,2:N) +beginfont("EN:change atom") + font_ht#:=18mm#; + MCd(1,1)(.5,1)(<30,!6,2:O,@(3,5)N) sw_numberA:=1; - MCd(.7,1)(.5,0)(?6,4\,?6) + MCd(1,1)(.5,.05)(<30,!6,2:O,@(3,5)N) endfont %*********************************************************************** beginfont("EN:change atom brock address 1") - MCd(.7,1)(.5,1)(?6,4\,|,?6,2:O) + font_wd#:=70mm#; + font_ht#:=15mm#; + MCd(1,1)(0,.5)(?6,4\,|,?6,2:O) sw_numberA:=1; - MCd(.7,.5)(.5,0)(?6,4\,?6) + MCd(1,.88)(1,.5)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom brock address 2") - MCd(.7,1)(.5,1)(?6,4\,|,?6,||,2:N) + font_wd#:=70mm#; + font_ht#:=15mm#; + MCd(1,1)(0,.5)(?6,4\,|,?6,||,2:N) sw_numberA:=1; - MCd(.7,.5)(.5,0)(?6,4\,?6) + MCd(1,.88)(1,.5)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom absolute address") - MCd(.7,1)(.5,1)(?6,4\,?6,#2:N) + font_wd#:=70mm#; + font_ht#:=15mm#; + MCd(1,1)(0,.5)(?6,4\,?6,#2:N) sw_numberA:=1; - MCd(.7,1)(.5,0)(?6,4\,?6) + MCd(1,.88)(1,.5)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom relative adress") - MCd(.7,1)(.5,1)(?6,4\,?6,-2:N) + font_wd#:=70mm#; + font_ht#:=15mm#; + MCd(1,1)(0,.5)(?6,4\,?6,-2:N) sw_numberA:=3; - MCd(.7,1)(.5,0)(?6,4\,?6) + MCd(1,.88)(1,.5)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:fused ring") + font_ht#:=18mm#; + margin_top_bottom:=1.5mm; + sw_clip:=1; sw_numberB:=1; MCf(<30,?6,3=?6,$(3)dt,$(7,8,9,10,11)bd) endfont -%*********************************************************************** +%----------------------------------------------------------------------- beginfont("EN:fused large 6 ring") + font_ht#:=18mm#; + margin_top_bottom:=1.5mm; sw_numberB:=1; + sw_clip:=1; MCf(<30,?6,3=?6[13],$(3)dt,$(7,8,9,10,11)bd) endfont -%*********************************************************************** -beginfont("EN:fused ring 1") - sw_start_vector:=1; +%----------------------------------------------------------------------- +beginfont("EN:fuse multi ring") + font_wd#:=70mm#; + font_ht#:=20mm#; sw_numberB:=1; + sw_clip:=1; MCf(<30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6,$(4,8,13,20,25,28,33)dt) endfont %*********************************************************************** beginfont("EN:fused ring 2") - sw_numberB:=1; - MCd(1,.62)( 0,0)(<30,?6,3=?6,(11,4)=?6[4],$(11,4)dt,$(12,13,14,15)bd) - MCd(1,.52)(.54,1)(<30,?6,3=?6,(11,4)=?5[3],$(11,4)dt,$(12,13,14)bd) - MCd(1,.52)(1, 0)(<30,?6,3=?6,(11,4)=?4[2],$(11,4)dt,$(12,13)bd) + font_wd#:=75mm#; + font_ht#:=20mm#; + sw_numberB:=1; + MCd(1,1)( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],$(11,4)dt,$(12,13,14,15)bd) + MCd(1,.9)(.5,.5)(<30,?6,3=?6,(11,4)=?5[3],$(11,4)dt,$(12,13,14)bd) + MCd(1,.9)( 1,.5)(<30,?6,3=?6,(11,4)=?4[2],$(11,4)dt,$(12,13)bd) endfont %*********************************************************************** beginfont("EN:fused ring 3") + font_ht#:=20mm#; + margin_top_bottom:=2mm; sw_numberB:=1; - MCd(1,.6)(0,1)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd) - MCd(1,.6)(1,0)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd) + MCd(1,1)(0,1)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd) + MCd(1,1)(1,0)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd) endfont %*********************************************************************** beginfont("EN:fused ring 4") - max_bond_width:=0.15; + sw_clip:=1; + font_ht#:=22mm#; + margin_top_bottom:=2mm; sw_numberB:=1; MCf(<-30,?6,$(3,10,15)?6,(21,4)=?6[2],$(21,4)dt,$(22,23)bd) endfont %*********************************************************************** beginfont("EN:Spiro ring ") + sw_clip:=1; + font_ht#:=18mm#; + margin_top_bottom:=3mm; sw_numberA:=1; numberA_end:=7; ratio_chain_ring:=1; MCf(<30,!6,4*,?5) endfont %*********************************************************************** -beginfont("EN:branch1") - sw_numberA:=1; - numberA_end:=9; - max_bond_width:=0.30; - ratio_chain_ring:=1; - MCf(<-30,!8,2\,!,4*\,!,6\*,!,8\\,!) -endfont -%*********************************************************************** -beginfont("EN:branch2") - sw_numberA:=1; - numberA_end:=7; - max_bond_width:=0.30; - ratio_chain_ring:=1; - MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) -endfont -%*********************************************************************** beginfont("EN:substituent 1") + font_ht#:=25mm#; + sw_clip:=1; MCf(<30,!,/Me,!,/Et,!3,/Pr,!,/iPr,!3,/tBu,!,/Ph^-30,!) endfont %*********************************************************************** beginfont("EN:substituent 2") - sw_start_vector:=1; - MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) + font_ht#:=20mm#; + sw_clip:=1; + MCf(<30,!,//O,!,/*H,!,*/H,!,**?3,!) endfont %*********************************************************************** beginfont("EN:substituent 3") - sw_start_vector:=1; - MCf(<30,``1,!,/Me~zf`2^30,!,/Me~zf`2^30,!2,*/Pr>lr,!2,*/Pr>rl,!) + font_ht#:=18mm#; + sw_clip:=1; + MCf(<30,``1,!2,/Me~zf`2^30,!2,*/Pr>lr,!2,*/Pr>rl,!) endfont %*********************************************************************** beginfont("EN:substituent 3") + font_wd#:=70mm#; + font_ht#:=22mm#; + margin_top_bottom:=2mm; sw_numberA:=1; - numberA_end:=12; - MCf(<30,!11,2:/Me,3:/Et,6:/Pr,7:/iPr,10:/tBu,11:/Ph^-30) + sw_clip:=1; + numberA_end:=18; + MCf(<-30,!17,2:/Me,4:/Et,6:/Pr,10:/iPr,14:/tBu,16:/Ph^-30) endfont %*********************************************************************** beginfont("EN:substituent 4") - sw_numberA:=1; numberA_end:=6; - MCf(<30,?6,@(3`2^30,3~wf,4~zf,6~wf^-30,6~zf^30)/H) + font_ht#:=15mm#; + sw_clip:=1; + margin_top_bottom:=2mm; + sw_numberA:=1; numberA_end:=9; + MCf(<-30,!6,@(2~wf,4~zf,6^-30)/H) endfont %*********************************************************************** beginfont("EN:substituent 5") + font_ht#:=18mm#; + margin_top_bottom:=2mm; + sw_clip:=1; sw_numberA:=1; numberA_end:=8; - MCf(<30,!7`1,@(2,3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl) + MCf(<30,!7`1,@(3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 1") + font_ht#:=27mm#; + sw_clip:=1; ratio_chain_ring:=1; MCf( ?4,@(3^-90,3^-30,3^90)/'(!3,"{hz}")>hz, - @(1^-60,1`2,1^60)/'(!2,"{vt}")>vt + @(1^-60,1`1.5,1^60)/'(!2,"{vt}")>vt ) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 2") + font_ht#:=23mm#; + sw_clip:=1; ratio_chain_ring:=1; MCf( <30,!6,@(3^-30,3,3^30)/'(!,!,!,"{lr}")>lr, @@ -263,37 +431,50 @@ beginfont("EN:chain strech direction mode 2") endfont %*********************************************************************** beginfont("EN:chain strech direction mode 3") + font_ht#:=25mm#; + sw_clip:=1; ratio_chain_ring:=1; - sw_start_vector:=1; MCf(<-30,!6,@(6>45)/'(!3,"{45}"), @(3>'(90,-90,90))/'(!3,"{'(90,-90,90)}") ) endfont %*********************************************************************** beginfont("EN:change atom and substituent") - sw_start_vector:=1; - MCf(<30,!2,NH,!,SO,!,SOO,!3) + sw_clip:=1; + font_ht#:=15mm#; + MCf(<30,!2,NH,!2,SO,!2,SOO,!) endfont %*********************************************************************** beginfont("EN:Change color") - sw_start_vector:=1; + font_ht#:=20mm#; + sw_clip:=1; + margin_left_right:=5mm; MCf(<30,Ph,@(2,5)N,2:red,5:blue,3=green) endfont %*********************************************************************** -beginfont("EN:Chain start multi characters") -% sw_start_vector:=1; - MCd(1,1)(0,.9)(<30,COOH,!0,!3,COOH) - MCd(.8,1)(.3,.1)(<30,COOH,!4,COOH) +beginfont("EN:Make brock") + font_ht#:=20mm#; + sw_clip:=1; + sw_numberB:=1; + MCf(<30,!2,{,``1.2,!2,},!2) endfont %*********************************************************************** +beginfont("EN:Chain start multi characters") + font_ht#:=20mm#; + MCd(1,1)( 0,1)(<30,COOH,!0,!5,COOH) + MCd(.8,1)(.3,0)(<30,COOH,!6,COOH) +endfont; +%*********************************************************************** beginfont("EN:User definition") - sw_start_vector:=1; + font_ht#:=18mm#; iBuOH:='(!,/Me,!,OH); MCf(<30,?6,@(4,6)/iBuOH) endfont %*********************************************************************** beginfont("EN:Inline definition") - sw_start_vector:=1; + font_ht#:=18mm#; + margin_left_right:=5mm; + sw_clip:=1; MCf(<30,!3,/'(!,/Me,!,OH),!3) endfont %*********************************************************************** @@ -306,136 +487,160 @@ beginfont("EN:Font size") @(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** -beginfont("EN:max_bond_width") +beginfont("EN:margin_left_right") + font_ht#:=20mm#; + sw_font_frame:=sw_mol_frame:=1; + margin_left_right:=0mm; + margin_top_bottom:=1mm; + MCd(1,1)(0.5, 1)(<30,CH3,!0,!17,CH3) + margin_left_right:=0.4mm; + MCd(1,1)(0.5,.5)(<30,CH3,!0,!17,CH3) + margin_left_right:=5mm; + MCd(1,1)(0.5, 0)(<30,CH3,!0,!17,CH3) +endfont +%*********************************************************************** +beginfont("EN:margin_top_bottom") + font_ht#:=20mm#; + sw_font_frame:=sw_mol_frame:=1; + margin_left_right:=5mm; + margin_top_bottom:=0mm; + MCd(1,1)(0.0, .5)(<30,Ph,5:/NH2) + margin_top_bottom:=0.4mm; + MCd(1,1)(0.5, .5)(<30,Ph,5:/NH2) + margin_top_bottom:=5mm; + MCd(1,1)(0.95, .5)(<30,Ph,5:/NH2) +endfont +%*********************************************************************** +beginfont("EN:offset_thickness") + font_ht#:=12mm#; + offset_thickness#:=0.0pt#; MCd(1,1)(0.08,0.5)(<30,Ph) + offset_thickness#:=0.2pt#; MCd(1,1)(.5,0.5)(<30,Ph) + offset_thickness#:=0.5pt#; MCd(1,1)(0.92,0.5)(<30,Ph) endfont +%*********************************************************************** +beginfont("EN:offset_bond_gap") + font_ht#:=12mm#; + offset_bond_gap#:=0.0pt#; + MCd(1,1)(0.08, .5)(<30,Ph) + offset_bond_gap#:=0.3pt#; %<<== default + MCd(1,1)(.50, .5)(<30,Ph) + offset_bond_gap#:=1.0pt#; + MCd(1,1)(0.92, .5)(<30,Ph) +endfont +%*********************************************************************** +beginfont("EN:offset_atom") + font_ht#:=14mm#; + offset_atom#:=0.0pt#; + MCd(1,1)(0.08, .5)(<30,?6,@(3)O) + offset_atom#:=0.8pt#; %<<== default + MCd(1,1)(.5, .5)(<30,?6,@(3)O) + offset_atom#:=2.0pt#; + MCd(1,1)(0.92, .5)(<30,?6,@(3)O) +endfont +%*********************************************************************** +beginfont("EN:offset_wedge") offset_wedge#:=0.0pt#; + font_ht#:=14mm#; + MCd(1,1)(0.08, .5)(<30,?6,5:*/Me) + offset_wedge#:=0.4pt#; %<<== default + MCd(1,1)(.5, .5)(<30,?6,5:*/Me) + offset_wedge#:=1.0pt#; + MCd(1,1)(0.92, .5)(<30,?6,5:*/Me) +endfont +%*********************************************************************** +beginfont("EN:max_bond_length") + font_ht#:=25mm#; sw_mol_frame:=1; - max_bond_width:=0.10; + max_bond_length#:=6mm#; MCd(1,1)(0, .5)(<30,Ph) - max_bond_width:=0.15; - MCd(1,1)(.33, .5)(<30,Ph) - max_bond_width:=0.25; + max_bond_length#:=8mm#; + MCd(1,1)(.4, .5)(<30,Ph) + max_bond_length#:=20mm#; %<<== default MCd(1,1)(1, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_thickness_bond") + font_ht#:=12mm#; ratio_thickness_bond:=0.005; - MCd(1,.6)(0, .5)(<30,Ph) - ratio_thickness_bond:=0.015; - MCd(1,.6)(.5, .5)(<30,Ph) + MCd(1,1)(0.08, .5)(<30,Ph) + ratio_thickness_bond:=0.015; %<<== default + MCd(1,1)(.5, .5)(<30,Ph) ratio_thickness_bond:=0.03; - MCd(1,.6)(1, .5)(<30,Ph) + MCd(1,1)(0.92, .5)(<30,Ph) endfont %*********************************************************************** -beginfont("EN:offset_thickness") - offset_thickness#:=0.0pt#; MCd(1,.3)(.1,0.5)(<30,Ph) endfont -beginfont() offset_thickness#:=0.2pt#; MCd(1,.3)(.5,0.5)(<30,Ph) endfont -beginfont() offset_thickness#:=0.5pt#; MCd(1,.3)(.9,0.5)(<30,Ph) endfont -%*********************************************************************** beginfont("EN:ratio_char_bond") + font_ht#:=15mm#; ratio_char_bond:=1.0; - MCd(1,.6)(0, .5)(<30,?6,5:O,2:NH) - ratio_char_bond:=1.5; - MCd(1,.6)(.5, .5)(<30,?6,5:O,2:NH) + MCd(1,1)( 0, .5)(<30,?6,6:O,3:NH) + ratio_char_bond:=1.5; %<<== default + MCd(1,1)(.5, .5)(<30,?6,6:O,3:NH) ratio_char_bond:=2.0; - MCd(1,.6)(1, .5)(<30,?6,5:O,2:NH) + MCd(1,1)( 1, .5)(<30,?6,6:O,3:NH) endfont %*********************************************************************** beginfont("EN:ratio_bondgap_bond") + font_ht#:=12mm#; ratio_bondgap_bond:=0.10; - MCd(1,.6)(0, .5)(<30,Ph) - ratio_bondgap_bond:=0.15; - MCd(1,.6)(.5, .5)(<30,Ph) + MCd(1,1)(0.08, .5)(<30,Ph) + ratio_bondgap_bond:=0.15; %<<== default + MCd(1,1)(.5, .5)(<30,Ph) ratio_bondgap_bond:=0.20; - MCd(1,.6)(1, .5)(<30,Ph) + MCd(1,1)(0.92, .5)(<30,Ph) endfont %*********************************************************************** -beginfont("EN:offset_bond_gap") offset_bond_gap#:=0.0pt#; -MCd(1,.3)(.1, .5)(<30,Ph) endfont -beginfont() offset_bond_gap#:=0.3pt#; %<<== default -MCd(1,.3)(.5, .5)(<30,Ph) endfont -beginfont() offset_bond_gap#:=1.0pt#; -MCd(1,.3)(.9, .5)(<30,Ph) endfont -%*********************************************************************** beginfont("EN:ratio_atom_bond") + font_ht#:=15mm#; ratio_atom_bond:=0.25; - MCd(1,.6)(0, .5)(<30,?6,@(2,5)O) - ratio_atom_bond:=0.33; - MCd(1,.6)(.5, .5)(<30,?6,@(2,5)O) + MCd(1,1)(0.08, .5)(<30,?6,@(3)O) + ratio_atom_bond:=0.33; %<<== default + MCd(1,1)(.5, .5)(<30,?6,@(3)O) ratio_atom_bond:=0.45; - MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) + MCd(1,1)(0.92, .5)(<30,?6,@(3)O) endfont %*********************************************************************** -beginfont("EN:offset_atom") offset_atom#:=0.0pt#; -MCd(1,.3)(.1, .5)(<30,?6,@(2,5)O) endfont -beginfont() offset_atom#:=0.8pt#; %<<== default -MCd(1,.3)(.5, .5)(<30,?6,@(2,5)O) endfont -beginfont() offset_atom#:=2.0pt#; -MCd(1,.3)(.9, .5)(<30,?6,@(2,5)O) endfont -%*********************************************************************** beginfont("EN:ratio_wedge_bond") + font_ht#:=15mm#; ratio_wedge_bond:=0.1; - MCd(1,.6)(0, .5)(<30,?6,5:*/Me) - ratio_wedge_bond:=0.12; - MCd(1,.6)(.5, .5)(<30,?6,5:*/Me) + MCd(1,1)(0.08, .5)(<30,?6,5:*/Me) + ratio_wedge_bond:=0.12; %<<== default + MCd(1,1)(.5, .5)(<30,?6,5:*/Me) ratio_wedge_bond:=0.2;; - MCd(1,.6)(1, .5)(<30,?6,5:*/Me) + MCd(1,1)(0.92, .5)(<30,?6,5:*/Me) endfont %*********************************************************************** -beginfont("EN:offset_wedge") offset_wedge#:=0.0pt#; -MCd(1,.3)(.1, .5)(<30,?6,5:*/Me) endfont -beginfont() offset_wedge#:=0.4pt#; %<<== default -MCd(1,.3)(.5, .5)(<30,?6,5:*/Me) endfont -beginfont() offset_wedge#:=1.0pt#; -MCd(1,.3)(.9, .5)(<30,?6,5:*/Me) endfont -%*********************************************************************** beginfont("EN:ratio_atomgap_atom") + font_ht#:=8mm#; sw_atom_frame:=1; ratio_atomgap_atom:=0.00; - MCd(1,.6)(0, .5)(<30,?6,@(2,5)O) - ratio_atomgap_atom:=0.050; - MCd(1,.6)(.5, .5)(<30,?6,@(2,5)O) + MCd(1,1)(0, .5)(<-30,!2,@(2)O) + ratio_atomgap_atom:=0.050; %<<== default + MCd(1,1)(.5, .5)(<-30,!2,@(2)O) ratio_atomgap_atom:=0.12; - MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) + MCd(1,1)(1, .5)(<-30,!2,@(2)O) endfont %*********************************************************************** beginfont("EN:ratio_chain_ring") + font_wd#:=70mm#; + font_ht#:=15mm#; ratio_chain_ring:= 0.4; - MCd(1,.6)(0, .5)(<30,?6,5:/Et) - ratio_chain_ring:= 0.66; - MCd(1,.6)(.5, .5)(<30,?6,5:/Et) + MCd(1,1)(0, .5)(<30,?6,4:/Et) + ratio_chain_ring:= 0.66; %<<== default + MCd(1,1)(.45, .5)(<30,?6,4:/Et) ratio_chain_ring:= 1; - MCd(1,.6)(1, .5)(<30,?6,5:/Et) + MCd(1,1)(1, .5)(<30,?6,4:/Et) endfont %*********************************************************************** beginfont("EN:ratio_zebragap_bond") + font_ht#:=15mm#; ratio_zebragap_bond:=0.06; - MCd(1,.6)(0, .5)(<30,Ph,5:/*Me`1) - ratio_zebragap_bond:=0.12; - MCd(1,.6)(.5, .5)(<30,Ph,5:/*Me`1) + MCd(1,1)(0.08, .5)(<-30,!2,2:/*Me`1) + ratio_zebragap_bond:=0.12; %<<== default + MCd(1,1)( .5, .5)(<-30,!2,2:/*Me`1) ratio_zebragap_bond:=0.20; - MCd(1,.6)(1, .5)(<30,Ph,5:/*Me`1) -endfont -%*********************************************************************** -beginfont("EN:margin_left_right") - sw_font_frame:=sw_mol_frame:=1; - margin_left_right:=0mm; - MCd(1,1)(0.5, .9)(<30,CH3,!0,!17,CH3) - margin_left_right:=0.4mm; - MCd(1,1)(0.5, .5)(<30,CH3,!0,!17,CH3) - margin_left_right:=5mm; - MCd(1,1)(0.5, .1)(<30,CH3,!0,!17,CH3) -endfont -%*********************************************************************** -beginfont("EN:margin_top_bottom") - sw_font_frame:=sw_mol_frame:=1; - margin_top_bottom:=0mm; - MCd(1,1)(0.0, .5)(<30,Ph,2:/OH,5:/NH2) - margin_top_bottom:=0.4mm; - MCd(1,1)(0.5, .5)(<30,Ph,2:/OH,5:/NH2) - margin_top_bottom:=5mm; - MCd(1,1)(1.0, .5)(<30,Ph,2:/OH,5:/NH2) + MCd(1,1)(0.92, .5)(<-30,!2,2:/*Me`1) endfont %*********************************************************************** beginfont("EN:Switwch numberingA") + font_ht#:=20mm#; ratio_chain_ring:=1; numberA_start:=3; numberA_end:=8; sw_numberA:=1; MCd(1,1)(.5,.9)(<30,!9) @@ -444,6 +649,7 @@ beginfont("EN:Switwch numberingA") endfont %*********************************************************************** beginfont("EN:Switwch numberingB") + font_ht#:=20mm#; ratio_chain_ring:=1; numberB_start:=3; numberB_end:=8; sw_numberB:=1; MCd(1,1)(.5,.9)(<30,!9) @@ -451,24 +657,45 @@ beginfont("EN:Switwch numberingB") sw_numberB:=3; MCd(1,1)(.5,.1)(<30,!9) endfont %*********************************************************************** +beginfont("EN:Switwch Solid ratio") + font_ht#:=20mm#; + bond_len#:=8mm#; + MCd(1,1)(0,.5)(Ph,4:/Me) + sw_solid:=1; + bond_len#:=6mm#; + MCd(1,1)(1,.5)(Ph,4:/Me) +endfont +%*********************************************************************** +beginfont("EN:Switwch Expand") + font_ht#:=20mm#; + MCd(1,1)(0, .5)(<30,Ph,4:/COOH,3:/NH2) + sw_expand:=1; + MCd(1,1)(1, .5)(<30,Ph,4:/COOH,3:/NH2) +endfont +%*********************************************************************** beginfont("EN:Switwch substituent off") - MCd(1,.5)( 0, .5)(<30,Ph,4:/Cl,3:/F) + font_ht#:=15mm#; + MCd(1,1)(.15, .5)(<30,Ph,4:/Cl,3:/F) sw_subst_off:=1; - MCd(1,.5)( 1, .5)(<30,Ph,4:/Cl,3:/F) + MCd(1,1)(.85, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch bondtype off") - MCd(1,.5)( 0, .5)(<30,Ph,4:/Cl,3:/F) + font_ht#:=15mm#; + MCd(1,1)(.15, .5)(<30,Ph,4:/Cl,3:/F) sw_bond_single:=1; - MCd(1,.5)( 1, .5)(<30,Ph,4:/Cl,3:/F) + MCd(1,1)(.85, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch start vector") + font_ht#:=15mm#; + MCd(1,1)(.1, .5)(<30,Ph,4:/Cl,3:/F) sw_start_vector:=1; - MCf(<30,Ph,4:/Cl,3:/F) + MCd(1,1)(.9, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch font frame") + font_ht#:=15mm#; margin_left_right:=5mm; margin_top_bottom:=2mm; sw_font_frame:=3; @@ -476,71 +703,81 @@ beginfont("EN:Switwch font frame") endfont %*********************************************************************** beginfont("EN:Switwch molecular frame") - MCd(1,.5)( 0, .5)(<30,Ph,4:/Cl,3:/F) + font_ht#:=15mm#; sw_mol_frame:=1; - MCd(1,.5)( 1, .5)(<30,Ph,4:/Cl,3:/F) + MCf(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch atom frame") + font_ht#:=15mm#; sw_atom_frame:=1; MCf(<30,Ph,4:/COOH,3:/OH) endfont %*********************************************************************** -beginfont("EN:Switwch Solid ratio") - MCd(1,.7)( 0, .5)(<30,Ph,4:/Cl,3:/F) - sw_solid:=1; - ratio_bond_width:=0.08; - MCd(1,.7)( 1, .5)(<30,Ph,4:/Cl,3:/F) +beginfont("EN:Switwch clipping") + font_ht#:=15mm#; + sw_mol_frame:=1; + MCf(<30,Ph,4:/Cl,3:/F) endfont -%*********************************************************************** -beginfont("EN:Switwch Expand") - MCd(.5,.5)(0, .5)(<30,Ph,4:/COOH,3:/NH2) - sw_expand:=1; - MCd(.6,.6)(1, .5)(<30,Ph,4:/COOH,3:/NH2) +beginfont("EN:Switwch clipping") + font_ht#:=15mm#; + sw_mol_frame:=1; + sw_clip:=1; + MCf(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:MCd()") + font_ht#:=20mm#; sw_font_frame:=1; sw_mol_frame:=1; - MCd(1,.8)(0.2,0.9)(<30,Ph,2:/OH,5:/NH2) + MCd(1,0.8)(0.1,1)(<30,Ph,4:/Cl,3:/F) sw_mol_frame:=1; - MCd(1,.8)(0.8,0.1)(<30,Ph,2:/OH,5:/NH2) + MCd(1,0.8)(0.9,0)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:MCf()") + font_ht#:=20mm#; sw_font_frame:=1; sw_mol_frame:=1; - MCf(<30,Ph,2:/OH,5:/NH2) + MCf(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Local setting") - sw_mol_frame:=1; - MCd(1,.4)(0.0,0.5)(Ph) + font_ht#:=15mm#; + MCd(1,1)(0.0,0.5)(Ph) + ratio_thickness_bond:=0.05; + MCd(1,1)(0.5,0.5)(Ph) + ratio_thickness_bond:=0.015; + MCd(1,1)(1.0,0.5)(Ph) endfont -beginfont() MCd(1,.4)(0.5,0.5)(Ph) endfont -beginfont() MCd(1,.4)(1.0,0.5)(Ph) endfont %*********************************************************************** -sw_mol_frame:=1; beginfont("EN:Global setting") - MCd(1,.4)(0.0,0.5)(Ph) endfont -beginfont() MCd(1,.4)(0.5,0.5)(Ph) endfont -beginfont() MCd(1,.4)(1.0,0.5)(Ph) endfont -sw_mol_frame:=0; + font_ht#:=15mm#; + ratio_thickness_bond:=0.05; + MCd(1,1)(0.0,0.5)(Ph) + MCd(1,1)(0.5,0.5)(Ph) + MCd(1,1)(1.0,0.5)(Ph) +endfont %*********************************************************************** +sw_clip:=1; %% Output molecular infomation beginfont() -sw_logout:=sw_info_weight:=sw_info_formula:=1; -MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) + font_ht#:=15mm#; + sw_logout:=sw_info_weight:=sw_info_formula:=1; + MCf(<30,?6,-4=?5,$(3,8)dl, + @(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** %% Output additional infomation beginfont("EN:Tocopherol","CAS:59-02-9","FM:C29H50O2","MW:430.71") -sw_logout:=1; -MCf(<30,Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,8\,|,!12,@(4,8)/*Me,12:/Me) + font_ht#:=15mm#; + sw_logout:=1; + MCf(<30,Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,8\,|,!12,@(4,8)/*Me,12:/Me) endfont %*********************************************************************** %% Change infomation separater beginfont("EN:Ampicillin","CAS:69-53-4","FM:C16H19N3O4S","MW:349.40") + font_ht#:=15mm#; MCf(<45, ?4,2:N,2=?5,-1:S, @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/Me, @@ -549,21 +786,24 @@ beginfont("EN:Ampicillin","CAS:69-53-4","FM:C16H19N3O4S","MW:349.40") endfont %*********************************************************************** beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65") + font_ht#:=15mm#; MCf( <30,?6,$(-4,-2)?6,-4=?5,7=dl, 1:*/OH,@(4,12)*/Me^60,9:*/H^60, - 10:/*H^180,@(11,-1)/*H^-60, - -1\^17,/*Me,!4,/Me,!, + 10:/*H^180,11:/*H^-60,17:/*H^-54, + -1\^18,/*Me,-60,!3,/Me,!, ) endfont %*********************************************************************** beginfont("EN:Warfarin","CAS:81-81-2","FM:C19H16O4","MW:308.33") + font_ht#:=25mm#; MCf( <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,! ) endfont %*************************************************************************** beginfont("EN:Limonin") + font_ht#:=30mm#; MCf(<30,?6,$(-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)/Me,@(1^60,5^180,16^60)/*H, @@ -571,17 +811,20 @@ beginfont("EN:Limonin") endfont %*************************************************************************** beginfont("EN:Sesamine") + font_ht#:=25mm#; MCf(<54,?5,1=?5,@(4,7)O,@(1^-54,2^54)*/H, #5*\^-12,Ph,|,-3=?5,@(-1,-3)O,#8*\^-12,Ph,|,-3=?5,@(-1,-3)O) endfont %*************************************************************************** beginfont("EN:Colchicine","CAS:477-27-0","FM:C21H23NO6","MW:385.41") + font_ht#:=25mm#; MCf(<30,Ph,@(1,2,6)/OMe,|,-4=?7, |,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OH, #9\,NH,!,//O,!) endfont %*************************************************************************** beginfont("EN:Lycorine","CAS:476-28-8","FM:C16H17NO4","MW:287.31") + font_ht#:=25mm#; MCf(<30, Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,@(15,17)O, 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH @@ -589,22 +832,37 @@ beginfont("EN:Lycorine","CAS:476-28-8","FM:C16H17NO4","MW:287.31") endfont %*********************************************************************** beginfont("EN:Gibberellin A3","CAS:77-06-5","FM:C19H22O6","MW:346.37"); + font_ht#:=20mm#; MCf(<18,?5,3=?7,5=?6[12],8*,160`1.3,&3,13=dl,6=wf,8=wb, 5*,40~zf`1,O,50,//O^180,&14~zb, 2:/COOH,7://Me,13:*/OH,8:/*OH,14:*/Me,@(1^60,4^60)*/H) endfont %*************************************************************************** beginfont("EN:Quinine","CAS:130-95-0","FM:C20H24N2O2","MW:324.42") + font_ht#:=25mm#; MCf(<30,Ph,3=Ph,7:N,6:/OMe, 10\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4*\,!~dr,2*,165~zf,60,&5~zb) endfont %*************************************************************************** beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37") + font_ht#:=25mm#; MCf(<-30,O,!,//O,!,!,Ph, #1\~zb^-120,|,?7,6*\^190`1.12,N,/Me,&3~wb,#3\~wv,!,OH) endfont %*************************************************************************** +beginfont("EN:Rotenone"); + font_ht#:=30mm#; + MCf(<-60,?5,$(-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)/OMe,1*\,/Me,!~dl) +endfont; +%*************************************************************************** +beginfont("EN:Pyrethrin I"); + MCf(<30,?3,@(3^35~wf,3^-35~zf)/Me,1*\,!~dl,iPr, + 2\*,//O,!,O,-36~zb,|,?5,-2=d,-1:/Me,-3://O,-2\,!4,$(-1,-3)dl) +endfont; +%*************************************************************************** beginfont("EN:Validamycin") + font_ht#:=20mm#; MCf(<30,?6,@(5,6)/OH,3\,-60,OH, #4\,O,-60,|,?6,2:O,@(3,4,5,6)/OH, #1\,NH,!,|,?6,2=d,@(4,5,6)/OH,-4\,!,OH) |