%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format by Akira Yamaji 2023.01.29 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% if unknown mcftograph: input mcf2graph; fi %%% it must be version 4.92 message "* mcf_exa_soc 2023.01.29"; message ""; %------------------------------------------------------------------------------ %%%%sw_frame:=Outside; %%%%sw_numbering:=Bond; %%%%sw_numbering:=Atom; %%%%sw_frame:=Atom; %%%%sw_expand:=1; tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; %------------------------------------------------------------------------------ %% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="p%3c-%{EN_}.png"; %% outputformat:="eps"; outputtemplate:="%j-%3c.eps"; %------------------------------------------------------------------------------ %ext(defaultscale:=.3; label.rt(inf_EN,(0,0));) %------------------------------------------------------------------------------ %sw_output:=Fig+Info; %ext(defaultfont:=mpfont; defaultscale:=.3; %label.rt(inf_EN&" / "&cal_MW&" / "&decimal(num_MW-scantokens(inf_MW)),(0,0));) %------------------------------------------------------------------------------ %%%%mc_query("Cat=biological","MW<200","a:MW"); %%%%mc_query("Cat=biological","MW<50.0","a:EN"); %%%%mc_query("Cat=biological","MW>=150","MW<=200","a:EN"); %%%%mc_query("Cat=biological","MW>=100","MW<=250","a:MW"); %****************************************************************************** fsize:=(35mm,24mm); max_blength:=4mm; mc_length:=20; %------------------------------------------------------------------------------ message "* outputformat="&outputformat; message "* outputtemplate="&outputtemplate; if outputformat="png": message "* hppp="&decimal(hppp)&"/vppp="&decimal(vppp); fi message "* atomfont="&atomfont; message "* defaultfont="&defaultfont; message ""; %------------------------------------------------------------------------------ %%%% beginfigm("t:EN","v:Caffeine") % select EN=Caffeine forever: %%%% beginfigm("f:mcf_library","v+:*") % 'mcf_library.mcf'(default) %%%% beginfigm("f:temp","v+:*") % use query output 'temp.mcf' %%%% beginfigm("v+:*") % select all %%%% beginfigm("t:EXA","v+:1","* defaultscale:=.3; label.rt(inf_EN,(0,0));") %%%% beginfigm("t:EXA","v+:1","+ defaultscale:=.5; label(decimal(fig_num),p0);") %%%% beginfigm("t:EXA","v+:1","= sw_frame:=Outside;") beginfigm("t:EXA","v+:1") % 'v+:1': select EXA=1 if f_EOF=0: if op_row>=1: scantokens(op) fi if mc_check(mc)=0: MC(scantokens(mc)) fi if ex_row>=1: ext(scantokens(ex)) fi if ad_row>=1: add(scantokens(ad)) fi fi endfigm exitif f_EOF=1; % exit if file end endfor %****************************************************************************** %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% bye