%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2020.07.09 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %% it must be version 4.49 or later %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; %%%%sw_aux_out:=0; %%%%sw_rep_out:=1; %*********************************************************************** fsize:=(35mm,25mm); blength:=6mm; %------------------------------------------------------------------------- %ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) %*********************************************************************** beginfont("EN:Glycine") MC(<30,NH2,!2,COOH) endfont %*********************************************************************** beginfont("EN:Alanine") MC(<30,NH2,!,/_,!,COOH) endfont %*********************************************************************** beginfont("EN:Valine") MC(<30,NH2,!,/iPr,!,COOH) endfont %*********************************************************************** beginfont("EN:Leucine") MC(<30,NH2,!2,COOH,2:\,!,/_,!) endfont %*********************************************************************** beginfont("EN:Isoleucine") MC(<30,NH2,!2,COOH,2:\,/_,!2) endfont %*********************************************************************** beginfont("EN:Serine") MC(<30,NH2,!2,COOH,2:/!OH) endfont %*********************************************************************** beginfont("EN:Threonine") MC(<30,NH2,!2,COOH,2:\,/_,!,OH) endfont %*********************************************************************** beginfont("EN:Cysteine") MC(<30,NH2,!2,COOH,2:/!SH) endfont %*********************************************************************** beginfont("EN:Methionine") MC(<30,NH2,!2,COOH,2:\,!2,SMe) endfont %*********************************************************************** beginfont("EN:Phenylalanine") MC(<30,NH2,!2,COOH,2:/!Ph) endfont %*********************************************************************** beginfont("EN:Tyrosine") MC(<30,NH2,!2,COOH,2:\,!,Ph,-3:/OH) endfont %*********************************************************************** beginfont("EN:Triptophan") MC(<30,NH2,!2,COOH,2:\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH) endfont %*********************************************************************** beginfont("EN:Prorine") MC(<18,?5,3:NH,4:/COOH) endfont %*********************************************************************** beginfont("EN:Glutamine") MC(<30,NH2,!2,COOH,2:\`1,-45,-45,//O,!,NH2) endfont %*********************************************************************** beginfont("EN:Asparagine") MC(<30,NH2,!2,COOH,2:\,!,//O,!,NH2) endfont %*********************************************************************** beginfont("EN:Aspartic acid") MC(<30,NH2,!,/!COOH,!,COOH) endfont %*********************************************************************** beginfont("EN:Glutamic acid") MC(<30,NH2,!2,COOH,2:\,!2,COOH) endfont %*********************************************************************** beginfont("EN:Lysine") MC(<30,NH2,!2,COOH,2:\,!4,NH2) endfont %*********************************************************************** beginfont("EN:Arginine") MC(<30,NH2,!2,COOH,2:\,-45,-45,60,NH,!,//NH,!,NH2) endfont %*********************************************************************** beginfont("EN:Hystidine") MC(<30,NH2,!2,COOH,2:\,!,|,?5,{1,3}=dl,3:N,5:NH) endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% fsize:=(60mm,35mm); blength:=0mm; max_blength:=10mm; ratio_thickness_bond:=0.015; ratio_atom_bond:=0.36; sw_fframe:=1; fmargin:=(2mm,1mm); %*********************************************************************** beginfont("EN:Chain 1") fsize:=(60mm,20mm); sw_numberB:=1; numberB_end:=6; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<10,-30,45,-45,30,-30,60, {1^-75,2^67.5,3^-60,4^75,5^-75,6^60}:/_~dt ) 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("30",B10/*.7); drawarrow B11/*.7{B11right}..{B5right}B5/*.7; label.ulft("-30",B11/*.7); drawarrow B12/*.7{B12left}..{B6left}B6/*.7; label.llft("60",B12/*.7); ) endfont %*********************************************************************** beginfont("EN:Chain 2") fsize:=(60mm,20mm); sw_numberB:=1; numberB_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,20mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numberA:=1; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<-30,!6,3:@,0,!,5:@,-30) endfont %*********************************************************************** beginfont("EN:Jump and Branch") fsize:=(60mm,20mm); fmargin:=(2mm,2mm); sw_numberA:=1; sw_trimming:=1; ratio_chain_ring:=1; %---------------------------------------------------------------------- MC(<-30,!6,3:\,!) endfont %*********************************************************************** beginfont("EN:branch1") fsize:=(60mm,20mm); fmargin:=(2mm,2mm); sw_numberA:=1; sw_trimming:=1; numberA_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_numberA:=1; numberA_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_numberA:=1; 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_numberB:=1; %---------------------------------------------------------------------- MC(?6) endfont %*********************************************************************** beginfont("EN:rotate 1") fsize:=(60mm,20mm); fmargin:=(2mm,3mm); sw_trimming:=1; sw_numberB:=1; ratio_chain_ring:=1; numberB_end:=5; defaultscale:=0.5; labeloffset:=2bp; MC(``1,0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf, {3,4^180}:/_~dt) add( drawarrow B6/*.7{B6left}..{B3left}B3/*.7; label.urt("90",B6/*.7); drawarrow B7/*.7{B7right}..{B4right}B4/*.7; label.urt("-90",B7/*.7); ) endfont %*********************************************************************** beginfont("EN:change bond 1") fsize:=(70mm,12mm); fmargin:=(2mm,3mm); blength:=8mm; sw_trimming:=1; ratio_chain_ring:=1; MC(<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm) endfont %*********************************************************************** beginfont("EN:change bond 2") fsize:=(60mm,12mm); fmargin:=(2mm,3mm); blength:=9.5mm; sw_trimming:=1; ratio_chain_ring:=1; MC(<-30,!~wf,!,!~wb,!,!~zf,!,!~zb) endfont %*********************************************************************** beginfont("EN:change bond 3") fsize:=(70mm,12mm); fmargin:=(2mm,3mm); blength:=10mm; sw_trimming:=1; ratio_chain_ring:=1; MC(<-30,!~vf,!,!~vb) endfont %*********************************************************************** beginfont("EN:change bond 3") fsize:=(70mm,12mm); fmargin:=(2mm,3mm); blength:=9mm; sw_trimming:=1; ratio_chain_ring:=1; MC(<-30,!7,1=dt,3=wv,5=bd,7=bz) endfont %*********************************************************************** beginfont("EN:change bond 4") fsize:=(60mm,12mm); fmargin:=(2mm,3mm); blength:=9mm; sw_trimming:=1; ratio_chain_ring:=1; MC(<30,!7,{2,4,6}=dr) endfont %*********************************************************************** beginfont("EN:over line") sw_trimming:=1; fsize:=(60mm,20mm); ratio_chain_ring:=1; MC(<30,!8,!,60,90`8,{2~si_,4~wf_,6~wb_,8~bd_}:/_`2) endfont %*********************************************************************** beginfont("EN:change bond length1") fsize:=(60mm,12mm); sw_numberB:=1; MC(<-30,!2,!2`1.2,!2) endfont %*********************************************************************** beginfont("EN:change bond length2") fsize:=(60mm,12mm); sw_numberB:=1; MC(<-30,!2,``1.2,!4) endfont %*********************************************************************** beginfont("EN:change ring length") fsize:=(60mm,20mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numberB:=1; MC(?6,4:\,?6`1.2) endfont %*********************************************************************** beginfont("EN:Insert atom") sw_trimming:=1; fsize:=(70mm,12mm); MC(<-30,!2,O,!2,N,!2) endfont %*********************************************************************** beginfont("EN:change atom") fsize:=(70mm,10mm); MCat(0,0.5)(<30,!4,2:O,{3,4}:N) sw_numberA:=1; MCat(1,0.5)(<30,!4,2:O,{3,4}:N) endfont %*********************************************************************** beginfont("EN:change atom brock address 1") fsize:=(70mm,15mm); MCat(0,.5)(?6,4:\,|,?6,2:O) sw_numberA:=1; msize:=(1,.88); MCat(1,.5)(?6,4:\,?6) endfont %*********************************************************************** beginfont("EN:change atom brock address 2") fsize:=(70mm,15mm); MCat(0,.5)(?6,4:\,|,?6,||,2:N) sw_numberA:=1; msize:=(1,.88); MCat(1,.5)(?6,4:\,?6) endfont %*********************************************************************** beginfont("EN:change atom absolute address") fsize:=(70mm,15mm); MCat(0,.5)(?6,4:\,?6,$2:N) sw_numberA:=1; msize:=(1,.88); MCat(1,.5)(?6,4:\,?6) endfont %*********************************************************************** beginfont("EN:change atom relative adress") fsize:=(70mm,15mm); MCat(0,.5)(?6,4:\,?6,-2:N) sw_numberA:=3; msize:=(1,.88); MCat(1,.5)(?6,4:\,?6) endfont %*********************************************************************** beginfont("EN:Charged atom") sw_trimming:=1; fsize:=(60mm,15mm); MC(<-30,!2,N[1],!2,O[-1],!2,&"-",!2,N,&"+"^180,!) endfont %*********************************************************************** beginfont("EN:fused ring") fsize:=(60mm,18mm); fmargin:=(2mm,1.5mm); sw_trimming:=1; sw_numberB:=1; MC(<30,?6,3=?6,3=dt,{7,8,9,10,11}=bd) endfont %----------------------------------------------------------------------- beginfont("EN:change ring length") fsize:=(60mm,25mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numberB:=1; MC(?6,4:\,?6`1.2,5=?6,11=?6, {14,15,16,17,18,19,20,21,22,23}=bd,{5,11}=dt) endfont %----------------------------------------------------------------------- beginfont("EN:fused large 6 ring") fsize:=(60mm,18mm); fmargin:=(2mm,1.5mm); margin_top_bottom:=1.5mm; sw_numberB:=1; sw_trimming:=1; MC(<30,?6,3=?6[13],3=dt,{7,8,9,10,11}=bd) endfont %----------------------------------------------------------------------- beginfont("EN:fuse multi ring") fsize:=(70mm,20mm); sw_numberB:=1; 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); sw_numberB:=1; MCat( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],{11,4}=dt,{12,13,14,15}=bd) msize:=(1,.9); MCat(.5,.5)(<30,?6,3=?6,(11,4)=?5[3],{11,4}=dt,{12,13,14}=bd) msize:=(1,.9); MCat( 1,.5)(<30,?6,3=?6,(11,4)=?4[2],{11,4}=dt,{12,13}=bd) endfont %*********************************************************************** beginfont("EN:fused ring 3") fsize:=(60mm,20mm); fmargin:=(2mm,2mm); sw_numberB:=1; MCat(0,1)(?6,{3,10}=?6,(16,4)=?6[3],{16,4}=dt,{17,18,19}=bd) MCat(1,0)(?6,{3,10}=?6,(16,4)=?5[2],{16,4}=dt,{17,18}=bd) endfont %*********************************************************************** beginfont("EN:fused ring 4") fsize:=(60mm,22mm); fmargin:=(2mm,2mm); sw_trimming:=1; sw_numberB:=1; MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2],{21,4}=dt,{22,23}=bd) endfont %*********************************************************************** beginfont("EN:Spiro ring ") sw_trimming:=1; fsize:=(60mm,18mm); fmargin:=(2mm,3mm); sw_numberA:=1; numberA_end:=7; ratio_chain_ring:=1; MC(<30,!6,4:@,?5) endfont %*********************************************************************** beginfont("EN:group 1") fsize:=(60mm,25mm); sw_trimming:=1; MC(<-30,!,/_,!,/!,!3,/!2,!,/iPr,!3,/tBu,!,/Ph^-30,!) endfont %*********************************************************************** beginfont("EN:group 2") fsize:=(70mm,15mm); sw_trimming:=1; MC(<30,!`1,//O,!2`1,/*H,!2`1,*/H,!2`1,*/*H,!2`1,**?3,!`1) endfont %*********************************************************************** beginfont("EN:group 3") fsize:=(60mm,18mm); sw_trimming:=1; MC(<-30,``1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!) endfont %*********************************************************************** beginfont("EN:group 3") fsize:=(70mm,18mm); fmargin:=(2mm,2mm); sw_numberA:=1; sw_trimming:=1; numberA_end:=17; MC(<30,!16,2:/_,4:/!,6:/!2,10:/iPr,14:/tBu,16:/Ph^-60) endfont %*********************************************************************** beginfont("EN:group 4") fsize:=(60mm,18mm); sw_trimming:=1; fmargin:=(2mm,2mm); sw_numberA:=1; numberA_end:=7; MC(<30,!6`1,{2~wf,4~zf,6^-30}:/_) endfont %*********************************************************************** beginfont("EN:group 5") fsize:=(60mm,18mm); sw_trimming:=1; sw_numberA:=1; numberA_end:=8; MC(<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 1") fsize:=(60mm,27mm); sw_trimming:=1; ratio_chain_ring:=1; MC( ?4,{3^-90,3^-30,3^90}:/'(!3,"{hz}")>hz, {1^-60,1`1.5,1^60}:/'(!2,"{vt}")>vt ) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 2") fsize:=(60mm,23mm); 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:=(60mm,25mm); sw_trimming:=1; ratio_chain_ring:=1; MC(<30,!6,{6>45}:/'(!3,"{45}"), {3>'(90,-90,90)}:/'(!3,"{'(90,-90,90)}") ) endfont %*********************************************************************** beginfont("EN:change atom and group") fsize:=(60mm,15mm); sw_trimming:=1; MC(<-30,!2,NH,!2,SO,!2,SOO,!) endfont %*********************************************************************** beginfont("EN:Change color,font") fsize:=(75mm,20mm); sw_label:=1; defaultfont:="cmtt10"; defaultsize:=10bp; fmargin:=(3mm,1mm); MCat(0.25,0)(<30,Ph,{2,5}:N,3:/NH2,2:red,5:blue,3=green) add(label.lft("(draw)",p0+(0,.9h));) atomfont:="cmr8"; MCat(1,0)(<30,Ph,{2,5}:N,3:/NH2) add(label.lft("(cmr8)",p0+(0,.9h));) endfont %*********************************************************************** beginfont("EN:Make brock") fsize:=(60mm,8mm); sw_trimming:=1; sw_numberB:=1; MC(<-30,!2,|=1.2,!2,=|,!2) endfont %*********************************************************************** beginfont("EN:User definition") fsize:=(60mm,20mm); sw_trimming:=1; iBuOH:='(!,/_,!,OH); MC(<30,?6,{4,6}:/iBuOH) endfont %*********************************************************************** beginfont("EN:Inline definition") fsize:=(60mm,20mm); fmargin:=(2mm,1mm); sw_trimming:=1; MC(<30,!3,/'(!,/_,!,OH),!3) 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_fframe:=3; 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_fframe:=3; 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_fframe:=3; sw_mframe:=1; 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_fframe:=3; sw_mframe:=1; 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_fframe:=3; sw_mframe:=1; 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_fframe:=3; sw_mframe:=1; fsize:=(40mm,15mm); msize:=(1,0.8); mposition:=(0.5,0.5); MC(<30,Ph) endfont %----------------------------------------------------- beginfont("EN:mposition") sw_fframe:=3; sw_mframe:=1; fsize:=(40mm,15mm); msize:=(1,0.8); mposition:=(1,0); MC(<30,Ph) endfont %----------------------------------------------------- beginfont("EN:mposition") sw_mframe:=1; 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,15mm); sw_fframe:=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:fmargin") fsize:=(40mm,15mm); sw_fframe:=3; sw_mframe:=1; fmargin:=(10mm,3mm); 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,15mm); offset_thickness:=0.0pt; MCat(0.08,0.5)(<30,Ph) offset_thickness:=0.2pt; MCat(.5,0.5)(<30,Ph) offset_thickness:=0.5pt; MCat(0.92,0.5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:offset_bond_gap") fsize:=(60mm,15mm); offset_bond_gap:=0.0pt; MCat(0.08, .5)(<30,Ph) offset_bond_gap:=0.3pt; %<<== default MCat(.50, .5)(<30,Ph) offset_bond_gap:=1.0pt; MCat(0.92, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:offset_atom") fsize:=(60mm,15mm); offset_atom:=0.0pt; MCat(0.08, .5)(<30,?6,3:O) offset_atom:=0.8pt; %<<== default MCat(.5, .5)(<30,?6,3:O) offset_atom:=2.0pt; MCat(0.92, .5)(<30,?6,3:O) endfont %*********************************************************************** beginfont("EN:offset_wedge") fsize:=(60mm,15mm); offset_wedge:=0.0pt; MCat(0.08, .5)(<30,?6,5:*/_) offset_wedge:=0.4pt; %<<== default MCat( .5, .5)(<30,?6,5:*/_) offset_wedge:=1.0pt; MCat(0.92, .5)(<30,?6,5:*/_) endfont %*********************************************************************** beginfont("EN:max_blength") fsize:=(60mm,25mm); sw_mframe:=1; 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) endfont %*********************************************************************** beginfont("EN:ratio_thickness_bond") fsize:=(60mm,15mm); ratio_thickness_bond:=0.005; MCat(0.08, .5)(<30,Ph) ratio_thickness_bond:=0.015; %<<== default MCat(.5, .5)(<30,Ph) ratio_thickness_bond:=0.03; MCat(0.92, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_char_bond") fsize:=(60mm,15mm); 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) endfont %*********************************************************************** beginfont("EN:ratio_bondgap_bond") fsize:=(60mm,15mm); ratio_bondgap_bond:=0.10; MCat(0.08, .5)(<30,Ph) ratio_bondgap_bond:=0.15; %<<== default MCat(.5, .5)(<30,Ph) ratio_bondgap_bond:=0.20; MCat(0.92, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_atom_bond") fsize:=(60mm,15mm); ratio_atom_bond:=0.25; MCat(0.08, .5)(<30,?6,3:O) ratio_atom_bond:=0.33; %<<== default MCat(.5, .5)(<30,?6,3:O) ratio_atom_bond:=0.45; MCat(0.92, .5)(<30,?6,3:O) endfont %*********************************************************************** beginfont("EN:ratio_wedge_bond") fsize:=(60mm,15mm); ratio_wedge_bond:=0.1; MCat(0.08, .5)(<30,?6,5:*/_) ratio_wedge_bond:=0.12; %<<== default MCat(.5, .5)(<30,?6,5:*/_) ratio_wedge_bond:=0.2;; MCat(0.92, .5)(<30,?6,5:*/_) endfont %*********************************************************************** beginfont("EN:ratio_atomgap_atom") fsize:=(60mm,8mm); sw_aframe:=1; ratio_atomgap_atom:=0.00; MCat(0, .5)(<30,!2,2:O) ratio_atomgap_atom:=0.050; %<<== default MCat(.5,.5)(<30,!2,2:O) ratio_atomgap_atom:=0.12; MCat(1, .5)(<30,!2,2:O) endfont %*********************************************************************** beginfont("EN:ratio_chain_ring") fsize:=(70mm,15mm); ratio_chain_ring:= 0.4; MCat(0, .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:/!) endfont %*********************************************************************** beginfont("EN:ratio_zebragap_bond") fsize:=(60mm,15mm); ratio_zebragap_bond:=0.06; MCat(0.08, .5)(<30,!2,2:/*_`1) ratio_zebragap_bond:=0.12; %<<== default MCat( .5, .5)(<30,!2,2:/*_`1) ratio_zebragap_bond:=0.20; MCat(0.92, .5)(<30,!2,2:/*_`1) endfont %*********************************************************************** beginfont("EN:Switwch numberingA") fsize:=(60mm,20mm); ratio_chain_ring:=1; numberA_start:=3; numberA_end:=8; sw_numberA:=1; MCat(.5,.9)(<-30,!9) sw_numberA:=2; MCat(.5,.5)(<-30,!9) sw_numberA:=3; MCat(.5,.1)(<-30,!9) endfont %*********************************************************************** beginfont("EN:Switwch numberingB") fsize:=(60mm,20mm); ratio_chain_ring:=1; numberB_start:=3; numberB_end:=8; sw_numberB:=1; MCat(.5,.9)(<-30,!9) sw_numberB:=2; MCat(.5,.5)(<-30,!9) sw_numberB:=3; MCat(.5,.1)(<-30,!9) endfont %*********************************************************************** beginfont("EN:Switwch trimming") fsize:=(60mm,20mm); sw_fframe:=3; sw_mframe:=1; msize:=(1,.7); MCat(.2,.3)(Ph) MCat(.8,.7)(Ph) endfont %----------------------------------------------------------------------- beginfont("EN:Switwch trimming") fsize:=(60mm,20mm); sw_fframe:=3; sw_mframe:=1; 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 group off") fsize:=(60mm,15mm); MCat(.15, .5)(<30,Ph,4:/Cl,3:/F) sw_group_off:=1; MCat(.85, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch bondtype off") fsize:=(60mm,15mm); MCat(.15, .5)(<30,Ph,4:/Cl,3:/F) sw_single:=1; MCat(.85, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch font frame 1") fsize:=(40mm,12mm); fmargin:=(5mm,2mm); sw_fframe:=1; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 2") fsize:=(40mm,12mm); fmargin:=(5mm,2mm); sw_fframe:=2; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 3") fsize:=(40mm,12mm); fmargin:=(5mm,2mm); sw_fframe:=3; MC(<30,Ph) endfont %*********************************************************************** beginfont("EN:Switwch molecular frame") sw_fframe:=1; fsize:=(40mm,15mm); msize:=(1,1); sw_mframe:=1; MC(<30,Ph) endfont %*********************************************************************** beginfont("EN:Switwch atom frame") fsize:=(60mm,15mm); sw_aframe:=1; 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_fframe:=1; sw_mframe:=1; MC(<30,Ph,4:/Cl,3:/F) endfont %----------------------------------------------------------------------- beginfont("EN:MCat()") defaultsize:=5bp; fsize:=(75mm,75mm); fmargin:=(3mm,3mm); blength:=0.07; sw_fframe:=1; mangle:=0; for i=1 step -0.25 until 0: for j=0 step 0.25 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; endfor endfor endfont %*********************************************************************** beginfont("EN:add()") fsize:=(70mm,20mm); msize:=(1,0.85); MCat(0,0)(<30,Ph,3=dl,4:/NH2) add(labeloffset:=.7aw; label.top(lonepair 90,A7); drawarrow (A7+up**1.2aw){A7left}..{B7right}B7/*0.3; drawarrow B3m..A3+B2up**1.5aw..{A3down}A3; ) MCat(1,0)(<30,?6,{1,5}=dl,4://NH2) add(labeloffset:=.7aw; label.top(plus,A7); label.urt(minus,A3); label(lonepair A3ang,A3+A3up**.7aw); ) ext(drawdblarrow (0.4w,0.4h)..(0.55w,0.4h);) endfont %*********************************************************************** beginfont("EN:ext()") fsize:=(70mm,30mm); blength:=0.065; sw_label_emu:=1; % MCat(0.1,0.5)(<-210,60`1,60`1,60`1,{1,3}=dl,1:/R1,4:/R2^-60) add( defaultscale:=0.6; label.bot("Diene",p0+(0.5w,0)); ) MCat(0.4,0.5)(<-30,-60`1,1=dl,1:/R3,2:/R4^60) add( defaultscale:=0.6; label.bot("Dienophile",p0+(0.5w,0)); ) MCat(0.9,0.5)(<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1) ext( drawarrow (0.52w,0.5h)..(0.6w,0.5h); defaultscale:=0.7; label("+",(0.25w,0.5h)); ratio_thickness_char:=0.125; label.bot("Diels-Alder Reaction",(0.5w,h)); ) endfont %*********************************************************************** % Global ext() setting 1 save_defaultsize:=defaultsize; defaultsize:=5bp; beginfont("EN:?3") fsize:=(12mm,15mm); MCat(0.5,1)(<30,?3) endfont beginfont("EN:?4") fsize:=(12mm,15mm); MCat(0.5,1)(?4) %------------------------------- ext(label.top(inf_EN,(0.5w,0));) %------------------------------- endfont beginfont("EN:?5") fsize:=(12mm,15mm); MCat(0.5,1)(?5) endfont beginfont("EN:?5") fsize:=(12mm,15mm); MCat(0.5,1)(?6) endfont %----------------------------------------------------------------------- beginfont("EN:?3") fsize:=(12mm,15mm); MCat(0.5,1)(<30,?3) endfont %------------------------------- ext(label.top(inf_EN,(0.5w,0));) %------------------------------- beginfont("EN:?4") fsize:=(12mm,15mm); MCat(0.5,1)(?4) endfont beginfont("EN:?5") fsize:=(12mm,15mm); MCat(0.5,1)(?5) endfont %--------- ext_clear; %--------- beginfont("EN:?6") fsize:=(12mm,15mm); MCat(0.5,1)(?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) endfont %*************************************************************************** beginfont("EN:Limonin") fsize:=(60mm,30mm); 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, 14:\*,|,?5,{1,4}=dl,3:O) endfont %*************************************************************************** beginfont("EN:Sesamine") fsize:=(60mm,25mm); MC(<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") 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,!) endfont %*************************************************************************** beginfont("EN:Lycorine","CAS:476-28-8","FM:C16H17NO4","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","CAS:77-06-5","FM:C19H22O6","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) endfont %*************************************************************************** beginfont("EN:Quinine","CAS:130-95-0","FM:C20H24N2O2","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:#) endfont %*************************************************************************** beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37") fsize:=(60mm,22mm); MC(<30,O,!,//O,!,!,Ph, $1:@,-60~zb,|,?7,6:*\^190`1.12,N,/_,3~wb:#,$3:*\*,!,OH) endfont %*************************************************************************** beginfont("EN:Rotenone"); fsize:=(60mm,30mm); MC(<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr, {2,13,16}=O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,1:*\,/_,!!) endfont; %*************************************************************************** beginfont("EN:Pyrethrin I"); MC(<30,?3,{3^35~wf,3^-35~zf}:/_,1:*\,!!,iPr, 2:\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,-2:\,!4,{-1,-3}=dl) endfont; %*************************************************************************** beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","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, 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 ) 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}:/_, 4:*\^75,NH,!,//O,!,/*NH2,!,Ph) endfont %*************************************************************************** beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65") fsize:=(60mm,15mm); MC( <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,/_,! ) endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% bye