%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.01.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------ font_wd#:=60mm#;% font width font_ht#:=35mm#;% font height max_bond_width:=0.18; %------------------------------------------------------------------------ sw_logout:=0; sw_mol_frame:=0; sw_expand:=0; sw_start_vector:=0; %%%%%sw_checklist:=1; %*********************************************************************** beginfont("EN:Chain") sw_numberB:=1; max_bond_width:=0.20; ratio_chain_ring:=1; sw_start_vector:=1; MCf(<30,-60,60,-60,60,-60,60) endfont %*********************************************************************** beginfont("EN:ring") sw_numberB:=1; sw_start_vector:=1; MCf(?6) endfont %*********************************************************************** beginfont("EN:rotate 1") sw_start_vector:=1; MCf(<30,!4,<30,?6) endfont %*********************************************************************** beginfont("EN:change bond 1") ratio_chain_ring:=1; MCf(<30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb) endfont %*********************************************************************** beginfont("EN:change bond 2") ratio_chain_ring:=1; MCf(<30,!9,1=vf,2=vb,3=tm,4=dt,5=wv,@(7~bd^-45`2,9~ov^45`2)/Me) endfont %*********************************************************************** beginfont("EN:change bond length1") sw_start_vector:=1; sw_numberB:=1; MCf(<30,!2,!2`1.2,!2) endfont %*********************************************************************** beginfont("EN:change bond length2") sw_start_vector:=1; sw_numberB:=1; MCf(<30,!2,``1.2,!4) endfont %*********************************************************************** beginfont("EN:change bond length3") sw_start_vector:=1; MCf(<30,?6,3\,?6`1.2,11=?6) endfont %*********************************************************************** beginfont("EN:change atom 1") sw_start_vector:=1; MCf(<30,!2,O,!2) endfont %*********************************************************************** beginfont("EN:change atom 2") MCd(1,1)(.5,.8)(<30,!6,2:O,@(3,5)N) sw_numberA:=1; MCd(1,1)(.5,.2)(<30,!6,2:O,@(3,5)N) endfont %*********************************************************************** beginfont("EN:change atom 3") MCd(.5,.5)(.5,.9)(?6,4\,?6,2:N) sw_numberA:=1; MCd(.5,.5)(.5,.1)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom 4") MCd(.5,.5)(.5,.9)(?6,4\,|,?6,2:N,||,@(2,6)O) sw_numberA:=1; MCd(.5,.5)(.5,.1)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom 5") MCd(.5,.5)(.5,.9)(?6,4\,?6,#2:N) sw_numberA:=1; MCd(.5,.5)(.5,.1)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom 6") MCd(.5,.5)(.5,.9)(?6,4\,?6,-2:N) sw_numberA:=3; MCd(.5,.5)(.5,.1)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:fused ring 1") sw_start_vector:=1; sw_numberB:=1; numberB_end:=6; MCf(<30,?6,3=?5) endfont %*********************************************************************** beginfont("EN:fused ring 1") sw_start_vector:=1; sw_numberB:=1; MCf(<30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6) endfont %*********************************************************************** beginfont("EN:fused ring 2") sw_numberB:=1; numberB_end:=11; MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4]) MCd(1,.6)(.54,1)(<30,?6,3=?6,(11,4)=?5[3]) MCd(1,.6)(1, 0)(<30,?6,3=?6,(11,4)=?4[2]) endfont %*********************************************************************** beginfont("EN:fused ring 3") sw_numberB:=1; numberB_end:=16; MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3]) MCd(1,.55)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2]) numberB_end:=21; MCd(1,.53)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2]) endfont %*********************************************************************** beginfont("EN:Spiro ring ") sw_numberA:=1; numberA_end:=7; ratio_chain_ring:=1; MCf(<30,!6,4*,?5) endfont %*********************************************************************** beginfont("EN:branch") sw_numberA:=1; max_bond_width:=0.30; ratio_chain_ring:=1; MCf(<-30,!8,2\,!,4*\,!,6\*,!,8\\,!) endfont %*********************************************************************** beginfont("EN:branch3") sw_numberA:=1; max_bond_width:=0.30; ratio_chain_ring:=1; MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) endfont %*********************************************************************** beginfont("EN:substituent 1") MCf(<30,!,/Me,!,/Et,!3,/Pr,!,/iPr,!3,/tBu,!,/Ph^-30,!) endfont %*********************************************************************** beginfont("EN:substituent 2") sw_start_vector:=1; MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) endfont %*********************************************************************** beginfont("EN:substituent 3") sw_start_vector:=1; MCf(<30,!`1,/Me~zf`2^30,!`1,/Me~zf`2^30,!2`1,*/Pr>lr,!2`1,*/Pr>rl,!`1) endfont %*********************************************************************** beginfont("EN:substituent 3") sw_numberA:=1; numberA_end:=_skeletonA_end; MCf(<30,!11,2:/Me,3:/Et,6:/Pr,7:/iPr,10:/tBu,11:/Ph^-30) endfont %*********************************************************************** beginfont("EN:substituent 4") sw_numberA:=1; numberA_end:=_skeletonA_end; MCf(<30,?6,@(3`2^30,3~wf,4~zf,6~wf^-30,6~zf^30)/H) endfont %*********************************************************************** beginfont("EN:substituent 5") sw_numberA:=1; numberA_end:=_skeletonA_end; MCf(<30,!7`1,@(2,3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 1") ratio_chain_ring:=1; MCf( ?4,@(3^-90,3^-30,3^90)/'(!3,"{>hz}")>hz, @(1^-60,1`2,1^60)/'(!2,"{>vt}")>vt ) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 2") 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") ratio_chain_ring:=1; sw_start_vector:=1; MCf(<-30,!6,@(6>45)/'(!3,"{>45}"), @(3>'(90,-90,90))/'(!3,"{>'(90,-90,90)}") ) endfont %*********************************************************************** beginfont("EN:change atom and substituent") sw_start_vector:=1; MCf(<30,!3,NH,!,SOO,!3) endfont %*********************************************************************** beginfont("EN:Change color") sw_start_vector:=1; MCf(<30,Ph,@(2,5)N,2:red,5:blue,3=green) endfont %*********************************************************************** beginfont("EN:Chain start multi characters") % sw_start_vector:=1; MCd(1,1)(0,.9)(<30,COOH,!0,!3,COOH) MCd(.8,1)(.3,.1)(<30,COOH,!4,COOH) endfont %*********************************************************************** beginfont("EN:User definition") sw_start_vector:=1; iBuOH:='(!,/Me,!,OH); MCf(<30,?6,@(4,6)/iBuOH) endfont %*********************************************************************** beginfont("EN:Inline definition") sw_start_vector:=1; MCf(<30,!3,/'(!,/Me,!,OH),!3) endfont %*********************************************************************** beginfont("EN:Ampicillin") 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,!,NH,!,Ph ) endfont %*********************************************************************** beginfont("EN:Cholesterol") MCf( <30,?6,$(-4,-2)?6,-4=?5,7=dl, 1:*/OH,@(4,12)*/Me^60,9:*/H^60, 10:/*H^180,@(11,-1)/*H^-60, -1\^17,/*Me,!4,/Me,!, ) endfont %*********************************************************************** beginfont("EN:alfa-Tocopherol") MCf(<30, Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, 8\,|,!12,@(4,8)/*Me,12:/Me ) endfont %*********************************************************************** beginfont("EN:Caffeine") MCf(<30, ?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O ) endfont %*********************************************************************** beginfont("EN:Lycorine") 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"); MCf( <12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8, 4\^155~zf`1.2,O,55,//O^180`1,&2~zb, 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me, @(3^-60,9^60)*/H ) 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:max_bond_width") sw_mol_frame:=1; max_bond_width:=0.10; MCd(1,1)(0, .5)(<30,Ph) max_bond_width:=0.15; MCd(1,1)(.33, .5)(<30,Ph) max_bond_width:=0.25; MCd(1,1)(1, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_thickness_bond") ratio_thickness_bond:=0.005; MCd(1,.6)(0, .5)(<30,Ph) ratio_thickness_bond:=0.015; MCd(1,.6)(.5, .5)(<30,Ph) ratio_thickness_bond:=0.03; MCd(1,.6)(1, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:offset_thickness") offset_thickness#:=0.0pt#; MCd(1,.3)(.1,0.5)(<30,Ph) endfont beginfont() offset_thickness#:=0.2pt#; MCd(1,.3)(.5,0.5)(<30,Ph) endfont beginfont() offset_thickness#:=0.5pt#; MCd(1,.3)(.9,0.5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_char_bond") ratio_char_bond:=1.0; MCd(1,.6)(0, .5)(<30,?6,5:O,2:NH) ratio_char_bond:=1.5; MCd(1,.6)(.5, .5)(<30,?6,5:O,2:NH) ratio_char_bond:=2.0; MCd(1,.6)(1, .5)(<30,?6,5:O,2:NH) endfont %*********************************************************************** beginfont("EN:ratio_bondgap_bond") ratio_bondgap_bond:=0.10; MCd(1,.6)(0, .5)(<30,Ph) ratio_bondgap_bond:=0.15; MCd(1,.6)(.5, .5)(<30,Ph) ratio_bondgap_bond:=0.20; MCd(1,.6)(1, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:offset_bond_gap") offset_bond_gap#:=0.0pt#; MCd(1,.3)(.1, .5)(<30,Ph) endfont beginfont() offset_bond_gap#:=0.3pt#; %<<== default MCd(1,.3)(.5, .5)(<30,Ph) endfont beginfont() offset_bond_gap#:=1.0pt#; MCd(1,.3)(.9, .5)(<30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_atom_bond") ratio_atom_bond:=0.25; MCd(1,.6)(0, .5)(<30,?6,@(2,5)O) ratio_atom_bond:=0.33; MCd(1,.6)(.5, .5)(<30,?6,@(2,5)O) ratio_atom_bond:=0.45; MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) endfont %*********************************************************************** beginfont("EN:offset_atom") offset_atom#:=0.0pt#; MCd(1,.3)(.1, .5)(<30,?6,@(2,5)O) endfont beginfont() offset_atom#:=0.8pt#; %<<== default MCd(1,.3)(.5, .5)(<30,?6,@(2,5)O) endfont beginfont() offset_atom#:=2.0pt#; MCd(1,.3)(.9, .5)(<30,?6,@(2,5)O) endfont %*********************************************************************** beginfont("EN:ratio_wedge_bond") ratio_wedge_bond:=0.1; MCd(1,.6)(0, .5)(<30,?6,5:*/Me) ratio_wedge_bond:=0.12; MCd(1,.6)(.5, .5)(<30,?6,5:*/Me) ratio_wedge_bond:=0.2;; MCd(1,.6)(1, .5)(<30,?6,5:*/Me) endfont %*********************************************************************** beginfont("EN:offset_wedge") offset_wedge#:=0.0pt#; MCd(1,.3)(.1, .5)(<30,?6,5:*/Me) endfont beginfont() offset_wedge#:=0.4pt#; %<<== default MCd(1,.3)(.5, .5)(<30,?6,5:*/Me) endfont beginfont() offset_wedge#:=1.0pt#; MCd(1,.3)(.9, .5)(<30,?6,5:*/Me) endfont %*********************************************************************** beginfont("EN:ratio_atomgap_atom") sw_atom_frame:=1; ratio_atomgap_atom:=0.00; MCd(1,.6)(0, .5)(<30,?6,@(2,5)O) ratio_atomgap_atom:=0.050; MCd(1,.6)(.5, .5)(<30,?6,@(2,5)O) ratio_atomgap_atom:=0.12; MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) endfont %*********************************************************************** beginfont("EN:ratio_chain_ring") ratio_chain_ring:= 0.4; MCd(1,.6)(0, .5)(<30,?6,5:/Et) ratio_chain_ring:= 0.66; MCd(1,.6)(.5, .5)(<30,?6,5:/Et) ratio_chain_ring:= 1; MCd(1,.6)(1, .5)(<30,?6,5:/Et) endfont %*********************************************************************** beginfont("EN:ratio_zebragap_bond") ratio_zebragap_bond:=0.06; MCd(1,.6)(0, .5)(<30,Ph,5:/*Me`1) ratio_zebragap_bond:=0.12; MCd(1,.6)(.5, .5)(<30,Ph,5:/*Me`1) ratio_zebragap_bond:=0.20; MCd(1,.6)(1, .5)(<30,Ph,5:/*Me`1) endfont %*********************************************************************** beginfont("EN:margin_left_right") sw_font_frame:=sw_mol_frame:=1; margin_left_right:=0mm; MCd(1,1)(0.5, .9)(<30,CH3,!0,!17,CH3) margin_left_right:=0.4mm; MCd(1,1)(0.5, .5)(<30,CH3,!0,!17,CH3) margin_left_right:=5mm; MCd(1,1)(0.5, .1)(<30,CH3,!0,!17,CH3) endfont %*********************************************************************** beginfont("EN:margin_top_bottom") sw_font_frame:=sw_mol_frame:=1; margin_top_bottom:=0mm; MCd(1,1)(0.1, .5)(<30,Ph,2:/OH,5:/NH2) margin_top_bottom:=0.4mm; MCd(1,1)(0.5, .5)(<30,Ph,2:/OH,5:/NH2) margin_top_bottom:=5mm; MCd(1,1)(0.9, .5)(<30,Ph,2:/OH,5:/NH2) endfont %*********************************************************************** beginfont("EN:Switwch start vector") sw_start_vector:=0; MCd(1,.6)( 0, .5)(<30,Ph,4:/Cl,3:/F) sw_start_vector:=1; MCd(1,.6)( 1, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch numberingA") 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") 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 font frame") sw_font_frame:=1; MCf(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch molecular frame") MCd(1,.6)( 0, .5)(<30,Ph,4:/Cl,3:/F) sw_mol_frame:=1; MCd(1,.6)( 1, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch atom frame") sw_atom_frame:=1; MCf(<30,Ph,4:/COOH,3:/OH) endfont %*********************************************************************** beginfont("EN:Switwch Solid ratio") MCd(1,.7)( 0, .5)(<30,Ph,4:/Cl,3:/F) sw_solid:=1; ratio_bond_width:=0.08; MCd(1,.7)( 1, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch Expand") MCd(1,.6)(0, .5)(<30,Ph,4:/COOH,3:/NH2) sw_expand:=1; MCd(1,.6)(1, .5)(<30,Ph,4:/COOH,3:/NH2) endfont %*********************************************************************** beginfont("EN:MCd()") sw_font_frame:=1; sw_mol_frame:=1; MCd(1,.8)(0.2,0.9)(<30,Ph,2:/OH,5:/NH2) sw_mol_frame:=1; MCd(1,.8)(0.8,0.1)(<30,Ph,2:/OH,5:/NH2) endfont %*********************************************************************** beginfont("EN:MCf()") sw_font_frame:=1; sw_mol_frame:=1; MCf(<30,Ph,2:/OH,5:/NH2) endfont %*********************************************************************** beginfont("EN:Local setting") sw_mol_frame:=1; MCd(1,.5)(0.0,0.5)(<30,Ph,@(2)N) endfont beginfont() MCd(1,.5)(0.5,0.5)(<30,Ph,@(2,4)N) endfont beginfont() MCd(1,.5)(1.0,0.5)(<30,Ph,@(2,4,6)N) endfont %*********************************************************************** sw_mol_frame:=1; beginfont("EN:Global setting") MCd(1,.5)(0.0,0.5)(<30,Ph,@(2)N) endfont beginfont() MCd(1,.5)(0.5,0.5)(<30,Ph,@(2,4)N) endfont beginfont() MCd(1,.5)(1.0,0.5)(<30,Ph,@(2,4,6)N) endfont sw_mol_frame:=0; %*********************************************************************** %% Output molecular infomation beginfont() sw_logout:=sw_info_weight:=sw_info_formula:=1; MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** %% Output additional infomation beginfont("EN:Caffeine","CAS:58-08-2") sw_logout:=1; MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** bye