%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2015.2 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %----------------------------------------------------------------------- font_wd#:=60mm#;% font width font_ht#:=30mm#;% font height max_bond_width:=0.18; %----------------------------------------------------------------------- sw_logout:=1; sw_frame:=0; sw_expand:=0; sw_start_vector:=0; %%%%%sw_checklist:=1; %*********************************************************************** beginfont("EN:Chain") sw_numberB:=1; ratio_cr:=1; sw_start_vector:=1; MCf(^^30,-60,60,-60,60,-60,60) endfont %*********************************************************************** beginfont("EN:Chain") sw_numberB:=1; ratio_cr:=1; sw_start_vector:=1; MCf(^^30,!,!,!,!,!,!) 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_cr:=1; MCf(^^30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb) endfont %*********************************************************************** beginfont("EN:change bond 2") ratio_cr:=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 length") sw_start_vector:=1; sw_numberB:=1; MCf(^^30,!3,!`1.2,!2) endfont %*********************************************************************** beginfont("EN:change bond length") sw_start_vector:=1; sw_numberB:=1; MCf(^^30,!3,``1.2,!3) endfont %*********************************************************************** beginfont("EN:change atom 1") sw_start_vector:=1; MCf(^^30,!2,O,!2) endfont %*********************************************************************** beginfont("EN:change atom 2") sw_start_vector:=1; MCf(^^30,!6,2:O,@(3,5)N) endfont %*********************************************************************** beginfont("EN:change atom 3") sw_start_vector:=1; MCf(?6,4\,?6,2:N) endfont %*********************************************************************** beginfont("EN:change atom 4") sw_start_vector:=1; MCf(?6,4\,??6,2:N) endfont %*********************************************************************** beginfont("EN:change atom 5") sw_start_vector:=1; MCf(?6,4\,?6,#2:N) endfont %*********************************************************************** beginfont("EN:change atom 6") sw_start_vector:=1; MCf(?6,4\,?6,-2:N) endfont %*********************************************************************** beginfont("EN:fused ring 1") sw_start_vector:=1; sw_numberB:=1; MCf(^^30,?6,$(3,3,3)?6) endfont %*********************************************************************** beginfont("EN:fused ring 2") sw_start_vector:=1; sw_numberB:=1; MCf(^^30,?6,$(3,9,14)??6) endfont %*********************************************************************** beginfont("EN:fused ring 3") sw_start_vector:=1; sw_numberB:=1; MCf(^^30,?6,$(3,9)??6,(11,4)=??6[4],(16,17)=??6[3],(20,5)=??4[2]) endfont %*********************************************************************** beginfont("EN:fused ring 4") sw_start_vector:=1; sw_numberB:=1; MCf(^^30,?6,$(3,9)??6,(11,4)=??6[4],(20,5)=??5[3],(16,17)=??5[2]) endfont %*********************************************************************** beginfont("EN:Spiro ring ") sw_start_vector:=1; ratio_cr:=1; MCf(^^30,!6,4*,?5) endfont %*********************************************************************** beginfont("EN:branch") sw_numberB:=1; sw_start_vector:=1; MCf(^^30,!3,/!2,!3) endfont %*********************************************************************** beginfont("EN:branch") sw_numberB:=1; sw_start_vector:=1; MCf(^^30,!6,4\,!2) endfont %*********************************************************************** beginfont("EN:substituent 1") sw_start_vector:=1; MCf(^^30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) endfont %*********************************************************************** beginfont("EN:substituent 2") sw_start_vector:=1; MCf(^^30,!,/Me,!,/Et,!3,/Pr,!,/iPr,!3,/tBu,!) endfont %*********************************************************************** beginfont("EN:substituent 3") sw_start_vector:=1; MCf(^^30,!10,2:/Me,3:/Et,6:/Pr,7:/iPr,10:/tBu) endfont %*********************************************************************** beginfont("EN:substituent 4") sw_start_vector:=1; MCf(^^30,?6,@(3`2^30,3~wf,4~zf,6~wf^-30,6~zf^30)/H) endfont %*********************************************************************** beginfont("EN:substituent 5") sw_start_vector:=1; MCf(^^30,{,``1,!7,},@(2,3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl ) endfont %*********************************************************************** beginfont("EN:change atom and substituent") sw_start_vector:=1; MCf(^^30,!3,NH,!,SOO,!3) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 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") 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") sw_start_vector:=1; MCf(^^-30,!6,@(6>45)/'(!3,"{>45}"), @(3>'(90,-90,90))/'(!,!,!,"{>'(90,-90,90)}") ) endfont %*********************************************************************** beginfont("EN:Change color") sw_start_vector:=1; MCf(^^30,?6,@(2,5)N,2:red,5:green,3=red) endfont %*********************************************************************** beginfont("EN:Chain start multi characters") % sw_start_vector:=1; MCf(^^30,COOH,!0,!,/OH^-30,/COOH^30,!2,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:Switwch start vector") sw_start_vector:=0; MCd(.7,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F) sw_start_vector:=1; MCd(.7,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch numberingA") sw_numberA:=1; sw_start_vector:=1; MCf(^^30,?6,-4=?6,-3\,!,?6,#10:/Et) endfont %*********************************************************************** beginfont("EN:Switwch numberingB") sw_numberB:=1; sw_start_vector:=1; MCf(^^30,?6,-4=?6,-3\,!,?6,#10:/Et) endfont %*********************************************************************** beginfont("EN:Switwch Frame") MCd(.7,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F) sw_frame:=1; MCd(.7,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch Solid ratio") MCd(.7,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F) sw_solid:=1; ratio_bond_width:=0.08; MCd(.7,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch Expand") MCd(.6,.6)(0, 0)(^^30,Ph,4:/COOH,3:/NH2) sw_expand:=1; MCd(.6,.6)(1, 1)(^^30,Ph,4:/COOH,3:/NH2) 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","MW:386.65") 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 %*********************************************************************** bye