%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format by Akira Yamaji 2022.01.22 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph; %%% it must be version 4.79 message "* mcf_exa_soc 2022.01.22"; message ""; %------------------------------------------------------------------------------ %%%%sw_frame:=Outside; %%%%sw_numbering:=Bond; %%%%sw_numbering:=Atom; tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; %------------------------------------------------------------------------------ %% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png"; %------------------------------------------------------------------------------ %%%%ext(defaultfont:=mpfont; defaultscale:=.3; label.rt(inf_EN,(0,0));) %------------------------------------------------------------------------------ %sw_output:=Font+Info; %ext(defaultfont:=mpfont; defaultscale:=.3; %label.rt(inf_EN&" / "&cal_MW&" / "&decimal(num_MW-scantokens(inf_MW)),(0,0));) %------------------------------------------------------------------------------ %%%%query("Cat=biological","MW<200","s:MW"); %%%%query("Cat=biological","MW<150.0","s:EN"); %%%%query("MW>=150","MW<=250","s:MW"); %****************************************************************************** fsize:=(35mm,24mm); max_blength:=4mm; %------------------------------------------------------------------------------ %%%% beginfigm("t:EN","v:Caffeine") % select EN=Caffeine forever: %%%% beginfigm("f:mcf_data_base","v+:*") % 'mcf_data_base.mcf'(default) %%%% beginfigm("f:temp","v+:*") % use query output %%%% beginfigm("v+:*") % select all beginfigm("t:EXA","v+:1") % 'v+:1': select EXA=1 if f_EOF=0: if check(mc)=0: MC(scantokens(mc)) fi fi endfigm exitif f_EOF=1; % exit if file end endfor %****************************************************************************** %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% bye