%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %% it must be version 4.73 % ** use data base file 'mcf_data_base.mcf' message "mcf_man_soc 2021.10.10"; message ""; %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; %%%%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) %*********************************************************************** fsize:=(40mm,25mm); blength:=6mm; %*********************************************************************** beginfont("EN:Glycine",":<30,NH2,!2,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Alanine",":<30,NH2,!~wb,/_,!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Valine",":<30,NH2,!~wb,/?!,!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Leucine",":<30,NH2,!~wb,/'(!,?!),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Isoleucine",":<30,NH2,!~wb,/'(/*_,!2),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Serine",":<30,NH2,!~wb,/!OH,!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Threonine",":<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Cysteine",":<30,NH2,!~wb,/!SH,!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Methionine",":<30,NH2,!~wb,/'(!2,S,!),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Phenylalanine",":<30,NH2,!~wb,/!Ph,!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Tyrosine",":<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Triptophan", ":<30,NH2,!~wb,!,COOH,@2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Prorine",":<18,?5,3:NH,4:*/COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Glutamine", ":<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!,//O,!,NH2") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Asparagine",":<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Aspartic acid",":<30,NH2,!~wb,/!COOH,!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Glutamic acid",":<30,NH2,!~wb,/'(!2,COOH),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Lysine",":<30,NH2,!~wb,/'(!4,NH2),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Arginine", ":<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!2,NH,!,//NH,!,NH2") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Hystidine", ":<30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-DOPA",":<30,NH2,!~wb,!,COOH,@2,\,!,Ph,{-3,-4}:/OH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:Ornithine",":<30,NH2,!~wb,/'(!3,NH2),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:Citrulline",":<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:GABA",":<30,NH2,!4,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:amino Levulinic acid",":<30,NH2,!2,//O,!3,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:4-amino benzoic acid",":<30,Ph,1:/NH2,4:/COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Carboxyl glutamic acid", ":<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:L-Hydroxy Prorine",":<18,?5,1:/OH,3:NH,4:*/COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% fsize:=(60mm,35mm); blength:=0mm; max_blength:=10mm; ratio_thickness_bond:=0.015; ratio_atom_bond:=0.36; sw_frame:=Outside; fmargin:=(2mm,1mm); %*********************************************************************** beginfont("EN:Chain 1") fsize:=(60mm,17mm); sw_numbering:=Bond; numbering_end:=6; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<15,-30,45,-45,60,$300,$0, {1^$15,2^$345,3^$30,4^$345}:/_~dt,{5,6}=vf, ) add( defaultscale:=0.5; labeloffset:=2bp; drawarrow B7/*.7{B7right}..{B1right}B1/*.7; label.ulft("-30",B7/*.7); drawarrow B8/*.7{B8left}..{B2left}B2/*.7; label.llft("45",B8/*.7); drawarrow B9/*.7{B9right}..{B3right}B3/*.7; label.ulft("-45",B9/*.7); drawarrow B10/*.7{B10left}..{B4left}B4/*.7; label.llft("60",B10/*.7); ) endfont %*********************************************************************** beginfont("EN:Chain 2") fsize:=(60mm,17mm); sw_numbering:=Bond; numbering_end:=6; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<-30,!6, {1^-120,2^60,3^-60,4^60,5^-60,6^60}:/_~dt ) add( defaultscale:=0.5; labeloffset:=2bp; drawarrow B7/*.7{B7right}..{B1right}B1/*.7; label.ulft("-60",B7/*.7); drawarrow B8/*.7{B8left}..{B2left}B2/*.7; label.llft("60",B8/*.7); drawarrow B9/*.7{B7right}..{B3right}B3/*.7; label.ulft("-60",B9/*.7); drawarrow B10/*.7{B10left}..{B4left}B4/*.7; label.llft("60",B10/*.7); drawarrow B11/*.7{B11right}..{B5right}B5/*.7; label.ulft("-60",B11/*.7); drawarrow B12/*.7{B12left}..{B6left}B6/*.7; label.llft("60",B12/*.7); ) endfont %*********************************************************************** beginfont("EN:Jump and Branch") fsize:=(60mm,16mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numbering:=Atom; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<-30,!6,@3,0,!,@5,-30) endfont %*********************************************************************** beginfont("EN:Jump and Branch") fsize:=(60mm,16mm); fmargin:=(2mm,2mm); sw_numbering:=Atom; sw_trimming:=1; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<-30,!6,@3,\,!) endfont %*********************************************************************** beginfont("EN:branch1") fsize:=(60mm,16mm); fmargin:=(2mm,2mm); sw_numbering:=Atom; sw_trimming:=1; numbering_end:=10; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<30,!10,@2,\,!,@4,*\,!,@6,\*,!,@8,\\,!,@10,*\*,!) endfont %*********************************************************************** beginfont("EN:branch2") fsize:=(60mm,20mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numbering:=Atom; numbering_end:=7; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<30,!6,@2,\~dr,!,@4,\`1.5,-90,@6,15,-60) endfont %*********************************************************************** beginfont("EN:Connect atom") fsize:=(60mm,20mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numbering:=Atom; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<-30,!6,@3,\,!3,&6~bd,@9,&4~bz) endfont %*********************************************************************** beginfont("EN:ring") fsize:=(60mm,20mm); sw_trimming:=1; fmargin:=(2mm,3mm); sw_numbering:=Bond; %---------------------------------------------------------------------- MC(?6) endfont %*********************************************************************** beginfont("EN:rotate 1") fsize:=(60mm,20mm); fmargin:=(2mm,3mm); sw_trimming:=1; sw_numbering:=Bond; ratio_chain_ring:=1; numbering_end:=7; defaultscale:=0.5; labeloffset:=2bp; MC(#1,0,0,<90,0,<-90,0,<$315,0,<$90,0,<$0,0,{1--7}=vf, {3,4^180}:/_~dt) add( drawarrow B8/*.7{B8left}..{B3left}B3/*.7; label.urt("90",B8/*.7); drawarrow B9/*.7{B9right}..{B4right}B4/*.7; label.urt("-90",B9/*.7); ) endfont %*********************************************************************** beginfont("EN:change bond 1") fsize:=(70mm,10mm); fmargin:=(2mm,2mm); sw_trimming:=0; ratio_chain_ring:=1; MC(<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm) add(defaultscale:=0.6; labeloffset:=0; label.rt("(dm)",A1+(0,-0.7l)); label.rt("(dl)",A3+(0,-0.7l)); label.rt("(dr)",A5+(0,-0.7l)); label.rt("(db)",A6+(0,-0.7l)); label.rt("(db)",A7+(0,-0.7l)); label.rt("(tm)",A9+(0,-0.7l)); ) endfont %*********************************************************************** beginfont("EN:change bond 2") fsize:=(70mm,10mm); fmargin:=(2mm,2mm); sw_trimming:=0; ratio_chain_ring:=1; MC(<-30,!~wf,!,!~wb,!,!~zf,!,!~zb,!,!~vf,!,!~vb) add(defaultscale:=0.6; labeloffset:=0; label.rt("(wf)",A1+(0,-0.7l)); label.rt("(wb)",A3+(0,-0.7l)); label.rt("(zf)",A5+(0,-0.7l)); label.rt("(zb)",A7+(0,-0.7l)); label.rt("(vf)",A9+(0,-0.7l)); label.rt("(vb)",A11+(0,-0.7l)); ) endfont %*********************************************************************** beginfont("EN:change bond 3") fsize:=(70mm,10mm); fmargin:=(2mm,2mm); blength:=9mm; sw_trimming:=1; ratio_chain_ring:=1; MC(<-30,!7,1=dt,3=wv,5=bd,7=bz) add(defaultscale:=0.6; labeloffset:=0; label.rt("(dt)",A1+(0,-0.6l)); label.rt("(wv)",A3+(0,-0.6l)); label.rt("(bd)",A5+(0,-0.6l)); label.rt("(bz)",A7+(0,-0.6l)); ) endfont %*********************************************************************** beginfont("EN:over line") sw_trimming:=1; fsize:=(75mm,20mm); ratio_chain_ring:=1; MC(<30,!18,$90`1.5,90`15.5, {2~si_,4~wf_,6~wb_,8~zf_,10~zb_, 12~bd_,14~dl_,16~dr_,18~dm_}:/_`2) endfont %*********************************************************************** beginfont("EN:Steric ring") fsize:=(75mm,16mm); MCat(0.05,0.5)(#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, {1^$-90,2^$90,3^$-90,4^$90}:/OH`-.5,6^$90:/!OH`-.5) defaultscale:=0.6; MCat(0.5,0.7)(0~wf_r) add(label.lft("wf_r:",A1);) MCat(0.5,0.2)(0~wf) add(label.lft("wf:",A1);) MCat(0.75,0.7)(0~bd_r) add(label.lft("bd_r:",A1);) MCat(0.75,0.2)(0~bd) add(label.lft("bd:",A1);) MCat(1,0.7)(0~wb_r) add(label.lft("wb_r:",A1);) MCat(1,0.2)(0~wb) add(label.lft("wb:",A1);) endfont %*********************************************************************** beginfont("EN:change multi bond") fsize:=(40mm,8mm); fmargin:=(2mm,3mm); ratio_chain_ring:=1; MC(<30,!7,{2,4,6}=dr) endfont %*********************************************************************** beginfont("EN:change bond length1") fsize:=(55mm,8mm); sw_numbering:=Bond; MC(<-30,!2,!4`1.2,!2) endfont %*********************************************************************** beginfont("EN:change bond length2") fsize:=(55mm,8mm); sw_numbering:=Bond; MC(<-30,!2,#1.2,!4,##,!2) endfont %*********************************************************************** beginfont("EN:change ring length") fsize:=(60mm,16mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numbering:=Bond; MC(?6,@4,\,?6`1.2) endfont %*********************************************************************** beginfont("EN:Insert atom") sw_trimming:=1; fsize:=(50mm,7mm); MC(<-30,!2,O,!2,N,!2) endfont %*********************************************************************** beginfont("EN:change atom") fsize:=(70mm,10mm); msize:=(0.48,1); MCat(0,0.5)(<30,!5,2:O,{3--5}:N) sw_numbering:=Atom; MCat(1,0.5)(<30,!5,2:O,{3--5}:N) endfont %*********************************************************************** beginfont("EN:change atom brock address 1") fsize:=(70mm,14mm); fmargin:=(3mm,1.5mm); MCat(0,.5)(?6,@4,\,|,?6,2:O) sw_numbering:=Atom; msize:=(1,.88); MCat(1,.5)(?6,@4,\,?6) endfont %*********************************************************************** beginfont("EN:change atom brock address 2") fsize:=(70mm,14mm); fmargin:=(3mm,1.5mm); MCat(0,.5)(?6,@4,\,|,?6,||,2:N) sw_numbering:=Atom; msize:=(1,.88); MCat(1,.5)(?6,@4,\,?6) endfont %*********************************************************************** beginfont("EN:change atom absolute address") fsize:=(70mm,14mm); fmargin:=(3mm,1.5mm); MCat(0,.5)(?6,@4,\,?6,$2:N) sw_numbering:=Atom; msize:=(1,.88); MCat(1,.5)(?6,@4,\,?6) endfont %*********************************************************************** beginfont("EN:change atom relative adress") fsize:=(70mm,14mm); fmargin:=(3mm,1.5mm); MCat(0,.5)(?6,@4,\,?6,-2:N) sw_numbering:=Atom+Inverse; msize:=(1,.88); MCat(1,.5)(?6,@4,\,?6) endfont %*********************************************************************** beginfont("EN:Charged atom") sw_trimming:=1; fsize:=(60mm,12mm); 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") fsize:=(60mm,18mm); fmargin:=(2mm,1.5mm); sw_trimming:=1; sw_numbering:=Bond; MC(<30,?6,3=?6,3=dt,{7--11}=bd_r) endfont %----------------------------------------------------------------------- beginfont("EN:change ring length") fsize:=(60mm,25mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numbering:=Bond; MC(?6,@4,\,?6`1.2,5=?6,11=?6, {14--23}=bd_r,{5,11}=dt) endfont %----------------------------------------------------------------------- beginfont("EN:fused large 6 ring") fsize:=(60mm,18mm); fmargin:=(2mm,1.5mm); margin_top_bottom:=1.5mm; sw_numbering:=Bond; sw_trimming:=1; MC(<30,?6,3=?6[13],3=dt,{7--11}=bd_r) endfont %----------------------------------------------------------------------- beginfont("EN:fuse multi ring") fsize:=(70mm,20mm); fmargin:=(2mm,2mm); sw_numbering:=Bond; sw_trimming:=1; MC(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt) endfont %*********************************************************************** beginfont("EN:fused ring 2") fsize:=(75mm,20mm); fmargin:=(2mm,2mm); sw_numbering:=Bond; msize:=(1,.9); MCat( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],{11,4}=dt,{12--15}=bd_r) add(defaultscale:=0.4; label("(1)",p0);) msize:=(1,.9); MCat(.5,.5)(<30,?6,3=?6,(11,4)=?5[3],{11,4}=dt,{12--14}=bd_r) add(defaultscale:=0.4; label("(2)",p0);) msize:=(1,.9); MCat( 1,.5)(<30,?6,3=?6,(11,4)=?4[2],{11,4}=dt,{12,13}=bd_r) add(defaultscale:=0.4; label("(3)",p0);) endfont %*********************************************************************** beginfont("EN:fused ring 3") fsize:=(60mm,20mm); fmargin:=(2mm,2mm); sw_numbering:=Bond; MCat(0,1)(?6,{3,10}=?6,(16,4)=?6[3],{16,4}=dt,{17--19}=bd_r) add(defaultscale:=0.4; label("(1)",p0);) MCat(1,0)(?6,{3,10}=?6,(16,4)=?5[2],{16,4}=dt,{17,18}=bd_r) add(defaultscale:=0.4; label("(2)",p0);) endfont %*********************************************************************** beginfont("EN:fused ring 4") fsize:=(60mm,20mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numbering:=Bond; MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2],{21,4}=dt,{22,23}=bd_r) endfont %*********************************************************************** beginfont("EN:Spiro ring ") fsize:=(40mm,15mm); sw_numbering:=Atom; numbering_end:=7; ratio_chain_ring:=1; MC(<30,!6,@4,?5) endfont %*********************************************************************** beginfont("EN:group 1") fsize:=(75mm,18mm); MC(<30,!,/_,!2,/!,!2,/!2,!4,/?!,!4,/??!,!2,/'(Ph`0.8)^-60,!) endfont %*********************************************************************** beginfont("EN:group 2") fsize:=(70mm,14mm); MC(<30,!`1,//O,!2`1,*/H,!2`1,/*H,!2`1,*/*H,!2`1,**?3,!`1) add(defaultscale:=0.75; label("//",A2-(0,0.45l)); label("*/",A4-(0,0.45l)); label("/*",A6-(0,0.45l)); label("*/*",A8-(0,0.45l)); label("**",A10-(0,0.45l)); ) endfont %*********************************************************************** beginfont("EN:group 3") fsize:=(60mm,16mm); sw_trimming:=1; MC(<-30,#1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!) endfont %*********************************************************************** beginfont("EN:group 3") fsize:=(75mm,18mm); fmargin:=(2mm,2mm); sw_numbering:=Atom; numbering_end:=17; MC(<30,!16,2:/_,4:/!,6:/!2,10:/iPr,14:/tBu,16:/'(Ph`0.8)^-60) endfont %*********************************************************************** beginfont("EN:group 4") fsize:=(60mm,18mm); sw_trimming:=1; fmargin:=(2mm,2mm); sw_numbering:=Atom; numbering_end:=9; MC(<30,!8`1,{2~wf,4~zf,6^-30,8^$120}:/_) endfont %*********************************************************************** beginfont("EN:group 5") fsize:=(60mm,16mm); sw_trimming:=1; sw_numbering:=Atom; numbering_end:=8; MC(<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 1") fsize:=(50mm,25mm); sw_trimming:=1; ratio_chain_ring:=1; MC( ?4,{3^-90,3^-30,3^90}:/'(!3,"{hz}")>hz, {1^-60,1,1^60}:/'(!3,"{vt}")>vt ) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 2") fsize:=(60mm,20mm); sw_trimming:=1; ratio_chain_ring:=1; MC( <-30,!6,{3^-30,3,3^30}:/'(!,!,!,"{lr}")>lr, {5^-30,5,5^30}:/'(!,!,!,"{rl}")>rl ) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 3") fsize:=(40mm,20mm); sw_trimming:=1; MC(<30,!4,2:/!6>30,4:/!4>-45) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 4") fsize:=(60mm,20mm); sw_trimming:=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,12mm); sw_trimming:=1; MC(<30,!9`1,?!,!,??,!,2:??,4:/?!,6:/??!,8:/N?!) endfont %*********************************************************************** beginfont("EN:User definition") fsize:=(60mm,13mm); sw_trimming:=1; iBuOH:='(!,/_,!,OH); MC(<30,?6,{4,6}:/iBuOH) endfont %*********************************************************************** beginfont("EN:Inline definition") fsize:=(60mm,13mm); fmargin:=(2mm,1mm); sw_trimming:=1; MC(<30,!8,{2,6}:/'(!,/_,!,OH)) endfont %*********************************************************************** beginfont("EN:Move position") fsize:=(70mm,16mm); fmargin:=(2mm,1mm); sw_trimming:=1; MC(<30,?6,@3,\,!3,//O,!,O,n_^60,@$(6,1),H,p_^15) add(drawdot A1 withpen pencircle scaled 2bp; pickup pencircle scaled 0.1bp; for i=0 upto 6: draw (A1+(l*i,l-3bp))--(l*i,l+3bp); endfor draw A1--(A1+(0,1l))--A1+(6l,1l); draw (A1+(0,1l))--(A1+(-3bp,1l)); ) endfont %*********************************************************************** beginfont("EN:Serial number") fsize:=(75mm,14mm); max_blength:=8mm; sw_numbering:=Atom; numbering_end:=15; MC(<30,!14,{2,6--10,14}:/_~bd_r`0.5) endfont %*********************************************************************** beginfont("EN:Change color") fsize:=(50mm,20mm); max_blength:=8mm; MC( <30,Ph,{2,5}:N,3:/NH2,4:/COOH, 2:red,5:blue,3=green ) endfont %*********************************************************************** beginfont("EN:Change font") fsize:=(50mm,20mm); max_blength:=8mm; atomfont:="cmr8"; MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH) endfont %*********************************************************************** beginfont("EN:mangle") fsize:=(50mm,15mm); blength:=6mm; mangle:=0; MCat(0.2,0.5)(Ph) add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);) mangle:=30; MCat(0.8,0.5)(Ph) add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);) endfont %*********************************************************************** beginfont("EN:blength=0") sw_frame:=Bothside; fsize:=(40mm,15mm); MC(<30,Ph) ext(pickup pencircle scaled 0.2pt; for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor ) endfont %----------------------------------------------------------------------- beginfont("EN:01") sw_frame:=Bothside; fsize:=(40mm,15mm); blength:=8mm; MC(<30,Ph) ext(pickup pencircle scaled 0.2pt; for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor ) endfont %*********************************************************************** beginfont("EN:msize=(1)") sw_frame:=Bothside+Mol; fsize:=(40mm,15mm); msize:=(1,1); MC(<30,Ph) ext(pickup pencircle scaled 0.2pt; for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor ) endfont %------------------------------------------------------ beginfont("EN:msize=(0.25,1)") sw_frame:=Bothside+Mol; fsize:=(40mm,15mm); msize:=(0.25,1); MC(<30,Ph) ext(pickup pencircle scaled 0.2pt; for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor ) endfont %------------------------------------------------------ beginfont("EN:msize=(11mm,11mm)") sw_frame:=Bothside+Mol; fsize:=(40mm,15mm); msize:=(11mm,11mm); MC(<30,Ph) ext(pickup pencircle scaled 0.2pt; for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor ) endfont %*********************************************************************** beginfont("EN:mposition") sw_frame:=Bothside+Mol; fsize:=(40mm,15mm); msize:=(1,0.8); mposition:=(0.5,0.5); MC(<30,Ph) endfont %----------------------------------------------------- beginfont("EN:mposition") sw_frame:=Bothside+Mol; fsize:=(40mm,15mm); msize:=(1,0.8); mposition:=(1,0); MC(<30,Ph) endfont %----------------------------------------------------- beginfont("EN:mposition") sw_frame:=sw_frame+Mol; fsize:=(40mm,15mm); msize:=(1,0.8); mposition:=(10mm,4mm); MC(<30,Ph) ext(drawdot p1 withpen pencircle scaled 3pt; pickup pencircle scaled 0.2pt; for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor ) endfont %*********************************************************************** beginfont("EN:Font size") fsize:=(40mm,12mm); sw_frame:=Outside; MC(<30,Ph) ext(pickup pencircle scaled 0.2pt; for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor ) endfont %*********************************************************************** beginfont("EN:fmargin") fsize:=(40mm,12mm); sw_frame:=Bothside+Mol; fmargin:=(10mm,1mm); MC(<30,Ph) ext(pickup pencircle scaled 0.2pt; for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor for i=0 upto h/cm: draw (0,i*cm)--(-.8mm,i*cm); endfor drawdot p0 withpen pencircle scaled 3pt; ) endfont %*********************************************************************** beginfont("EN:offset_thickness") fsize:=(60mm,12mm); offset_thickness:=0.0pt; MCat(0.1,0.5)(<30,Ph) offset_thickness:=0.2pt; MCat(0.55,0.5)(<30,Ph) offset_thickness:=0.5pt; MCat(1,0.5)(<30,Ph) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.0pt",(0,1bp)); label.urt("0.2pt",(0.36w,1bp)); label.urt("0.5pt",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:offset_bond_gap") fsize:=(60mm,12mm); offset_bond_gap:=0.0pt; MCat(0.1, .5)(<30,Ph) offset_bond_gap:=0.3pt; %<<== default MCat(.55, .5)(<30,Ph) offset_bond_gap:=1.0pt; MCat(1, .5)(<30,Ph) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.0pt",(0,1bp)); label.urt("0.3pt",(0.36w,1bp)); label.urt("1.0pt",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:offset_atom") fsize:=(60mm,12mm); offset_atom:=0.0pt; MCat(0.1, .5)(<30,?6,3:O) offset_atom:=0.8pt; %<<== default MCat(.55, .5)(<30,?6,3:O) offset_atom:=2.0pt; MCat(1, .5)(<30,?6,3:O) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.0pt",(0,1bp)); label.urt("0.8pt",(0.36w,1bp)); label.urt("2.0pt",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:offset_wedge") fsize:=(60mm,12mm); offset_wedge:=0.0pt; MCat(0.1,0.5)(<30,?6,5:*/_) offset_wedge:=0.4pt; %<<== default MCat(0.55,0.5)(<30,?6,5:*/_) offset_wedge:=1.0pt; MCat(1, 0.5)(<30,?6,5:*/_) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.0pt",(0,1bp)); label.urt("0.4pt",(0.36w,1bp)); label.urt("1.0pt",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:max_blength") fsize:=(60mm,25mm); sw_frame:=sw_frame+Mol; max_blength:=6mm; MCat(0, .5)(<30,Ph) max_blength:=8mm; MCat(.4,.5)(<30,Ph) max_blength:=20mm; %<<== default MCat(1, .5)(<30,Ph) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("6mm", (0.08w,2bp)); label.urt("8mm", (0.40w,2bp)); label.urt("20mm",(0.75w,0.45h)); ) endfont %*********************************************************************** beginfont("EN:ratio_thickness_bond") fsize:=(60mm,12mm); ratio_thickness_bond:=0.005; MCat(0.1,0.5)(<30,Ph) ratio_thickness_bond:=0.015; %<<== default MCat(.55,0.5)(<30,Ph) ratio_thickness_bond:=0.03; MCat(1, 0.5)(<30,Ph) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.005",(0,1bp)); label.urt("0.015",(0.36w,1bp)); label.urt("0.030",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:ratio_char_bond") fsize:=(60mm,12mm); ratio_char_bond:=1.0; MCat(0, .5)(<30,?6,6:O,3:NH) ratio_char_bond:=1.5; %<<== default MCat(.5, .5)(<30,?6,6:O,3:NH) ratio_char_bond:=2.0; MCat( 1, .5)(<30,?6,6:O,3:NH) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("1.0",(0,1bp)); label.urt("1.5",(0.36w,1bp)); label.urt("2.0",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:ratio_bondgap_bond") fsize:=(60mm,12mm); ratio_bondgap_bond:=0.10; MCat(0.1, .5)(<30,Ph) ratio_bondgap_bond:=0.15; %<<== default MCat(.55, .5)(<30,Ph) ratio_bondgap_bond:=0.20; MCat(1 , .5)(<30,Ph) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.10",(0,1bp)); label.urt("0.15",(0.36w,1bp)); label.urt("0.20",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:ratio_atom_bond") fsize:=(60mm,12mm); ratio_atom_bond:=0.25; MCat(0.1, .5)(<30,?6,3:O) ratio_atom_bond:=0.33; %<<== default MCat(.55, .5)(<30,?6,3:O) ratio_atom_bond:=0.45; MCat(1, .5)(<30,?6,3:O) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.25",(0,1bp)); label.urt("0.33",(0.36w,1bp)); label.urt("0.45",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:ratio_wedge_bond") fsize:=(70mm,12mm); ratio_wedge_bond:=0.1; MCat(0.05, .5)(?6,4:*/_) ratio_wedge_bond:=0.12; %<<== default MCat(.55, .5)(?6,4:*/_) ratio_wedge_bond:=0.2;; MCat(1 , .5)(?6,4:*/_) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.10",(0,1bp)); label.urt("0.12",(0.36w,1bp)); label.urt("0.20",(0.7w,1bp)); ) endfont %*********************************************************************** beginfont("EN:ratio_atomgap_atom") fsize:=(70mm,12mm); sw_frame:=sw_frame+Atom; ratio_atomgap_atom:=0.00; MCat(0, .5)(<30,!2`0.5,2:O) ratio_atomgap_atom:=0.050; %<<== default MCat(.5,.5)(<30,!2`0.5,2:O) ratio_atomgap_atom:=0.12; MCat(1, .5)(<30,!2`0.5,2:O) ext(defaultscale:=0.75; labeloffset:=1bp; label.urt("0.00",(0.05w,1bp)); label.urt("0.05",(0.45w,1bp)); label.urt("0.12",(0.85w,1bp)); ) endfont %*********************************************************************** beginfont("EN:ratio_chain_ring") fsize:=(70mm,12mm); ratio_chain_ring:= 0.4; MCat(0.05, .5)(<30,?6,4:/!) ratio_chain_ring:= 0.66; %<<== default MCat(.45, .5)(<30,?6,4:/!) ratio_chain_ring:= 1; MCat(1, .5)(<30,?6,4:/!) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.40",(0,1bp)); label.urt("0.66",(0.3w,1bp)); label.urt("1.0" ,(0.62w,1bp)); ) endfont %*********************************************************************** beginfont("EN:ratio_hashgap_bond") fsize:=(70mm,15mm); ratio_hashgap_bond:=0.06; MCat(0.08, .5)(<30,!2,2:/*_`1.5) ratio_hashgap_bond:=0.12; %<<== default MCat( .55, .5)(<30,!2,2:/*_`1.5) ratio_hashgap_bond:=0.20; MCat(1, .5)(<30,!2,2:/*_`1.5) ext(defaultscale:=0.6; labeloffset:=1bp; label.urt("0.06",(0,1bp)); label.urt("0.12",(0.4w,1bp)); label.urt("0.20",(0.77w,1bp)); ) endfont %*********************************************************************** beginfont("EN:Switwch numbering atom") fsize:=(60mm,20mm); ratio_chain_ring:=1; numbering_start:=3; numbering_end:=8; sw_numbering:=Atom; MCat(.5,.9)(<-30,!9) sw_numbering:=Atom+Brock; MCat(.5,.5)(<-30,!9) sw_numbering:=Atom+Inverse; MCat(.5,.1)(<-30,!9) endfont %*********************************************************************** beginfont("EN:Switwch numbering bond") fsize:=(60mm,20mm); ratio_chain_ring:=1; numbering_start:=3; numbering_end:=8; sw_numbering:=Bond; MCat(.5,.9)(<-30,!9) sw_numbering:=Bond+Brock; MCat(.5,.5)(<-30,!9) sw_numbering:=Bond+Inverse; MCat(.5,.1)(<-30,!9) endfont %*********************************************************************** beginfont("EN:Switwch trimming") fsize:=(60mm,20mm); sw_frame:=Bothside+Mol; msize:=(1,.7); MCat(.2,.3)(Ph) MCat(.8,.7)(Ph) endfont %----------------------------------------------------------------------- beginfont("EN:Switwch trimming") fsize:=(60mm,20mm); sw_frame:=Bothside+Mol; sw_trimming:=1; msize:=(1,.7); MCat(.2,.3)(Ph) MCat(.8,.7)(Ph) endfont %*********************************************************************** beginfont("EN:Switwch Expand") fsize:=(60mm,20mm); MCat(0, .5)(<30,Ph,4:/COOH,3:/NH2) sw_expand:=1; MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) endfont %*********************************************************************** beginfont("EN:Switwch abbreviate group") fsize:=(60mm,12mm); MCat(.15, .5)(<30,Ph,4:/Cl,3:/F) sw_abbreviate:=Group; MCat(.85, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch abbreviate bondtype") fsize:=(60mm,12mm); MCat(.15, .5)(<30,Ph,4:/Cl,3:/F) sw_abbreviate:=Bond; MCat(.85, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch font frame 1") fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_frame:=Outside; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 2") fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_frame:=Inside; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 3") fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_frame:=Bothside; MC(<30,Ph) endfont %*********************************************************************** beginfont("EN:Switwch molecular frame") sw_frame:=Outside; fsize:=(40mm,11mm); msize:=(1,1); sw_frame:=sw_frame+Mol; MC(<30,Ph) endfont %*********************************************************************** beginfont("EN:Switwch atom frame") fsize:=(60mm,10mm); sw_frame:=sw_frame+Atom; MC(<30,COOH,!,COOH) endfont %*********************************************************************** beginfont("EN:Local setting 1") fsize:=(15mm,12mm); MC(Ph) endfont beginfont("EN:Local setting 2") fsize:=(15mm,12mm); ratio_thickness_bond:=0.05; MC(Ph) endfont beginfont("EN:Local setting 3") fsize:=(15mm,12mm); MC(Ph) endfont %*********************************************************************** save_ratio:=ratio_thickness_bond; beginfont("EN:Global setting 1") fsize:=(15mm,12mm); MC(Ph) endfont ratio_thickness_bond:=0.05; beginfont("EN:Global setting 2") fsize:=(15mm,12mm); MC(Ph) endfont beginfont("EN:Global setting 3") fsize:=(15mm,12mm); MC(Ph) endfont ratio_thickness_bond:=save_ratio; %*********************************************************************** beginfont("EN:MC() ") fmargin:=(0.5mm,0.5mm); fsize:=(40mm,15mm); sw_frame:=Outside+Mol; MC(<30,Ph,4:/Cl,3:/F) endfont %----------------------------------------------------------------------- beginfont("EN:MCat()") defaultsize:=5bp; fsize:=(60mm,40mm); fmargin:=(3mm,3mm); blength:=0.07; sw_frame:=Outside; mangle:=0; for i=1 step -0.5 until 0: for j=0 step 0.33 until 1: MCat(j,i)(Ph,4:N) add( drawarrow((A1+A1up**aw)..A1); label(decimal(mangle),p0+(0.5w,0.5h)); ) mangle:=mangle+30; endfor endfor endfont %*********************************************************************** beginfont("EN:Pyridine",":<30,Ph,2:N") sw_trimming:=0; fsize:=(12mm,12mm); if check(mc)=0: MC(scantokens(mc)) fi endfont %----------------------------------------------------------------------- beginfont("EN:Pyridine",":<30,Ph,2):N") sw_trimming:=0; fsize:=(12mm,12mm); if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:add() 1") fsize:=(70mm,40mm); sw_frame:=sw_frame+Atom+Mol; max_blength:=10mm; msize:=(.91,.9); MCat(.5,.85)(<30,?6,{2,5}:O) add( defaultscale:=.8; labeloffset:=.3aw; dotlabel.lft("p0",p0); dotlabel.rt( "p0+(w,h)",p0+(w,h)); dotlabel.ulft("A1",A1); drawarrow A1..A1+__*l<