%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.10.19 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %% it must be version 4.00 or later %------------------------------------------------------------------------ sw_auxout:=0; sw_mol_frame:=0; sw_expand:=0; sw_start_vector:=0; sw_solid:=2; %%%%%sw_checklist:=1; %*********************************************************************** font_wd#:=35mm#; font_ht#:=25mm#; bond_len#:=6mm#; %*********************************************************************** 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#; bond_len#:=8mm#; max_bond_length#:=10mm#; ratio_thickness_bond:=0.015; ratio_atom_bond:=0.36; sw_solid:=0; 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; 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`.4 ) endfont %*********************************************************************** beginfont("EN:Chain 2") font_ht#:=20mm#; sw_numberB:=1; numberB_end:=6; 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; 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; 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#:=20mm#; 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,-90,6\^15,-60) endfont %*********************************************************************** beginfont("EN:Connect atom") font_ht#:=20mm#; margin_top_bottom:=2mm; sw_clip:=1; sw_numberA:=1; ratio_chain_ring:=1; %---------------------------------------------------------------------- MCf(<30,!6,3\,!,&5) endfont %*********************************************************************** beginfont("EN:ring") font_ht#:=20mm#; sw_clip:=1; margin_top_bottom:=3mm; sw_numberB:=1; %---------------------------------------------------------------------- MCf(?6) endfont %*********************************************************************** beginfont("EN:rotate 1") font_ht#:=20mm#; margin_top_bottom:=3mm; sw_clip:=1; sw_numberB:=1; 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_ht#:=12mm#; bond_len#:=8mm#; sw_clip:=1; ratio_chain_ring:=1; margin_top_bottom:=3mm; MCf(<30,!~dm,!,!~dl,!,!~dr,!,!~tm) endfont %*********************************************************************** beginfont("EN:change bond 2") font_ht#:=12mm#; bond_len#:=8mm#; margin_top_bottom:=3mm; sw_clip:=1; ratio_chain_ring:=1; MCf(<30,!~wf,!,!~wb,!,!~zf,!,!~zb) endfont %*********************************************************************** beginfont("EN:change bond 3") font_ht#:=12mm#; bond_len#:=8mm#; margin_top_bottom:=3mm; sw_clip:=1; ratio_chain_ring:=1; MCf(<30,!~vf,!,!~vb) endfont %*********************************************************************** beginfont("EN:change bond 3") font_ht#:=12mm#; bond_len#:=8mm#; sw_clip:=1; ratio_chain_ring:=1; margin_top_bottom:=3mm; MCf(<30,!3,1=dt,3=wv) endfont %*********************************************************************** beginfont("EN:change bond 4") font_ht#:=12mm#; bond_len#:=8mm#; sw_clip:=1; ratio_chain_ring:=1; margin_top_bottom:=3mm; MCf(<30,!3,1=bd,3=bz) endfont %*********************************************************************** beginfont("EN:change bond 5") font_ht#:=12mm#; bond_len#:=8mm#; 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; MCf(<-30,!8,!,60,90`8,@(2~si_,4~wf_,6~wb_,8~bd_)/Me`2) endfont %*********************************************************************** beginfont("EN:change bond length1") font_ht#:=12mm#; sw_numberB:=1; MCf(<30,!2,!2`1.2,!2) endfont %*********************************************************************** beginfont("EN:change bond length2") font_ht#:=12mm#; sw_numberB:=1; MCf(<30,!2,``1.2,!4) endfont %*********************************************************************** beginfont("EN:change ring length") margin_top_bottom:=2mm; font_ht#:=15mm#; sw_clip:=1; sw_numberB:=1; MCf(?6,4\,?6`1.2) endfont %*********************************************************************** beginfont("EN:Insert atom") sw_clip:=1; font_ht#:=10mm#; MCf(<30,!2,O,!2,N,!2) endfont %*********************************************************************** beginfont("EN:change atom") font_ht#:=18mm#; MCd(1,1)(.5,1)(<30,!6,2:O,@(3,5)N) sw_numberA:=1; MCd(1,1)(.5,.05)(<30,!6,2:O,@(3,5)N) endfont %*********************************************************************** beginfont("EN:change atom brock address 1") font_wd#:=70mm#; font_ht#:=15mm#; MCd(1,1)(0,.5)(?6,4\,|,?6,2:O) sw_numberA:=1; MCd(1,.88)(1,.5)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom brock address 2") font_wd#:=70mm#; font_ht#:=15mm#; MCd(1,1)(0,.5)(?6,4\,|,?6,||,2:N) sw_numberA:=1; MCd(1,.88)(1,.5)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom absolute address") font_wd#:=70mm#; font_ht#:=15mm#; MCd(1,1)(0,.5)(?6,4\,?6,#2:N) sw_numberA:=1; MCd(1,.88)(1,.5)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom relative adress") font_wd#:=70mm#; font_ht#:=15mm#; MCd(1,1)(0,.5)(?6,4\,?6,-2:N) sw_numberA:=3; 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,$(7,8,9,10,11)bd) endfont %----------------------------------------------------------------------- beginfont("EN:change ring length") margin_top_bottom:=2mm; font_ht#:=25mm#; sw_clip:=1; sw_numberB:=1; MCf(?6,4\,?6`1.2,5=?6,11=?6,$(14,15,16,17,18,19,20,21,22,23)bd,$(5,11)dt) endfont %----------------------------------------------------------------------- beginfont("EN:fused large 6 ring") font_ht#:=18mm#; margin_top_bottom:=1.5mm; sw_numberB:=1; sw_clip:=1; MCf(<30,?6,3=?6[13],$(3)dt,$(7,8,9,10,11)bd) endfont %----------------------------------------------------------------------- beginfont("EN:fuse multi ring") font_wd#:=70mm#; font_ht#:=20mm#; sw_numberB:=1; sw_clip:=1; MCf(<30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6,$(4,8,13,20,25,28,33)dt) endfont %*********************************************************************** beginfont("EN:fused ring 2") font_wd#:=75mm#; font_ht#:=20mm#; sw_numberB:=1; MCd(1,1)( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],$(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,$(12,13)bd) endfont %*********************************************************************** beginfont("EN:fused ring 3") font_ht#:=20mm#; margin_top_bottom:=2mm; sw_numberB:=1; MCd(1,1)(0,1)(?6,$(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,$(17,18)bd) endfont %*********************************************************************** beginfont("EN:fused ring 4") sw_clip:=1; font_ht#:=22mm#; margin_top_bottom:=2mm; sw_numberB:=1; MCf(<-30,?6,$(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:substituent 1") font_ht#:=25mm#; sw_clip:=1; MCf(<30,!,/Me,!,/Et,!3,/Pr,!,/iPr,!3,/tBu,!,/Ph^-30,!) endfont %*********************************************************************** beginfont("EN:substituent 2") font_ht#:=15mm#; sw_clip:=1; MCf(<-30,!,//O,!2,/*H,!2,*/H,!2,**?3,!) endfont %*********************************************************************** beginfont("EN:substituent 3") 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#:=18mm#; margin_top_bottom:=2mm; sw_numberA:=1; sw_clip:=1; numberA_end:=17; MCf(<-30,!16,2:/Me,4:/Et,6:/Pr,10:/iPr,14:/tBu,16:/Ph^-60) endfont %*********************************************************************** beginfont("EN:substituent 4") font_ht#:=17mm#; sw_clip:=1; margin_top_bottom:=2mm; sw_numberA:=1; numberA_end:=7; MCf(<-30,!6,@(2~wf,4~zf,6^-30)/Me) 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,@(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`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, @(5^-30,5,5^30)/'(!,!,!,"{rl}")>rl ) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 3") font_ht#:=25mm#; sw_clip:=1; ratio_chain_ring:=1; MCf(<-30,!6,@(6>45)/'(!3,"{45}"), @(3>'(90,-90,90))/'(!3,"{'(90,-90,90)}") ) endfont %*********************************************************************** beginfont("EN:change atom and substituent") sw_clip:=1; font_ht#:=15mm#; MCf(<30,!2,NH,!2,SO,!2,SOO,!) endfont %*********************************************************************** beginfont("EN:Change color") 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:Make brock") font_ht#:=8mm#; sw_clip:=1; sw_numberB:=1; MCf(<30,!2,{,``1.2,!2,},!2) endfont %*********************************************************************** beginfont("EN:Chain start multi characters") font_ht#:=9mm#; sw_clip:=1; sw_solid:=1; MCf(<30,COOH,!0,!5,COOH) endfont; beginfont("EN:not good") font_ht#:=9mm#; margin_left_right:=5mm; sw_solid:=1; sw_clip:=1; MCf(<30,COOH,!6,COOH) endfont; %*********************************************************************** beginfont("EN:User definition") font_ht#:=15mm#; sw_clip:=1; iBuOH:='(!,/Me,!,OH); MCf(<30,?6,@(4,6)/iBuOH) endfont %*********************************************************************** beginfont("EN:Inline definition") font_ht#:=15mm#; margin_left_right:=2mm; sw_clip:=1; MCf(<30,!3,/'(!,/Me,!,OH),!3) endfont %*********************************************************************** beginfont("EN:Font size") font_wd#:=30mm#;% font_ht#:=20mm#;% sw_font_frame:=1; MCf(<30, ?6,-4=?5,$(3,8)dl,@(2,6,7,9)N, @(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** 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_length#:=6mm#; MCd(1,1)(0, .5)(<30,Ph) 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(1,1)(0.08, .5)(<30,Ph) ratio_thickness_bond:=0.015; %<<== default MCd(1,1)(.5, .5)(<30,Ph) ratio_thickness_bond:=0.03; MCd(1,1)(0.92, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_char_bond") font_ht#:=15mm#; ratio_char_bond:=1.0; 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(1,1)( 1, .5)(<30,?6,6:O,3:NH) endfont %*********************************************************************** beginfont("EN:ratio_bondgap_bond") font_ht#:=12mm#; ratio_bondgap_bond:=0.10; MCd(1,1)(0.08, .5)(<30,Ph) ratio_bondgap_bond:=0.15; %<<== default MCd(1,1)(.5, .5)(<30,Ph) ratio_bondgap_bond:=0.20; MCd(1,1)(0.92, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_atom_bond") font_ht#:=15mm#; ratio_atom_bond:=0.25; 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(1,1)(0.92, .5)(<30,?6,@(3)O) endfont %*********************************************************************** beginfont("EN:ratio_wedge_bond") font_ht#:=15mm#; ratio_wedge_bond:=0.1; 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(1,1)(0.92, .5)(<30,?6,5:*/Me) endfont %*********************************************************************** beginfont("EN:ratio_atomgap_atom") font_ht#:=8mm#; sw_atom_frame:=1; ratio_atomgap_atom:=0.00; MCd(1,1)(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(1,1)(1, .5)(<-30,!2,@(2)O) endfont %*********************************************************************** beginfont("EN:ratio_chain_ring") font_wd#:=70mm#; font_ht#:=15mm#; ratio_chain_ring:= 0.4; MCd(1,1)(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(1,1)(1, .5)(<30,?6,4:/Et) endfont %*********************************************************************** beginfont("EN:ratio_zebragap_bond") font_ht#:=15mm#; ratio_zebragap_bond:=0.06; 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(1,1)(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) sw_numberA:=2; MCd(1,1)(.5,.5)(<30,!9) sw_numberA:=3; MCd(1,1)(.5,.1)(<30,!9) 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) sw_numberB:=2; MCd(1,1)(.5,.5)(<30,!9) sw_numberB:=3; MCd(1,1)(.5,.1)(<30,!9) endfont %*********************************************************************** beginfont("EN:Switwch Solid ratio") font_wd#:=70mm#; font_ht#:=20mm#; bond_len#:=8mm#; MCd(1,1)(0,.5)(Ph) sw_solid:=1; ratio_bond_width:=0.1; MCd(1,1)(.55,.5)(Ph) sw_solid:=2; bond_len#:=6mm#; MCd(1,1)(1,.5)(Ph) 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") font_ht#:=15mm#; MCd(1,1)(.15, .5)(<30,Ph,4:/Cl,3:/F) sw_subst_off:=1; MCd(1,1)(.85, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch bondtype off") font_ht#:=15mm#; MCd(1,1)(.15, .5)(<30,Ph,4:/Cl,3:/F) sw_bond_single:=1; 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; 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; MCf(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch molecular frame") font_ht#:=15mm#; sw_mol_frame:=1; MCf(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch atom frame") font_ht#:=15mm#; sw_atom_frame:=1; MCf(<30,Ph,1:/Cl,4:/COOH,3:/OH) endfont %*********************************************************************** beginfont("EN:Switwch clipping") font_ht#:=15mm#; sw_mol_frame:=1; MCf(<30,Ph,4:/Cl,3:/F) endfont 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(1,0.8)(0.1,1)(<30,Ph,4:/Cl,3:/F) sw_mol_frame:=1; 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,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Local setting") 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("EN:Global setting") 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("EN:Caffeine","FM:C8H10N4O2","MW:194.19") 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") 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, 4*\^75,NH,!,//O,!,/*NH2,!,Ph ) endfont %*********************************************************************** beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65") font_ht#:=15mm#; MCf( <30,?6,$(-4,-2)?6,-4=?5,7=dl, 1:*/OH,@(4,12)*/Me^60,9:*/H^60, 10:/*H^180,11:/*H^-60,17:/*H^-54, -1\^18,/*Me,-60,!3,/Me,!, ) endfont %*********************************************************************** beginfont("EN:Warfarin","CAS:81-81-2","FM:C19H16O4","MW:308.33") font_ht#:=25mm#; MCf( <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,! ) endfont %*************************************************************************** beginfont("EN:Limonin") font_ht#:=30mm#; MCf(<30,?6,$(-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, 14\*,|,?5,$(1,4)dl,3:O) endfont %*************************************************************************** beginfont("EN:Sesamine") font_ht#:=25mm#; MCf(<54,?5,1=?5,@(4,7)O,@(1^-54,2^54)*/H, #5*\^-12,Ph,|,-3=?5,@(-1,-3)O,#8*\^-12,Ph,|,-3=?5,@(-1,-3)O) endfont %*************************************************************************** beginfont("EN:Colchicine","CAS:477-27-0","FM:C21H23NO6","MW:385.41") font_ht#:=25mm#; MCf(<30,Ph,@(1,2,6)/OMe,|,-4=?7, |,-5=?7,$(-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 ) 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) endfont %*************************************************************************** beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","MW:853.91") MCf(?6,5=d,3*,{,``1,36,45,45,45,45,}, ,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, @(4^35,4^-35,6)/Me,@(3^-60,15)*/OH,8:/*H^-60,9:*/Me^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 %*********************************************************************** bye