diff options
Diffstat (limited to 'graphics/mcf2graph/mcf_manual.tex')
-rw-r--r-- | graphics/mcf2graph/mcf_manual.tex | 90 |
1 files changed, 49 insertions, 41 deletions
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex index eb640aac46..f6e773eb33 100644 --- a/graphics/mcf2graph/mcf_manual.tex +++ b/graphics/mcf2graph/mcf_manual.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2022.07.18 +% Molecular Coding Format manual by Akira Yamaji 2022.08.22 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%\usepackage{graphicx} @@ -1503,7 +1503,7 @@ tag2:="C"; > char No tag3:="mw"; % calculated molecular weight > tag4:="fm"; % calculated molecular formula > outputformat:="png"; hppp:=vppp:=0.1; > PNG output -outputtemplate:="%j-%3c.png"; > +outputtemplate:="c%3c-%{EN_}.png"; > %------------------------------------------------------------------------- beginfigm("EN:Ampicillin","MW:349.405") > information MC(<45,?4,-3=?5,2:N,7:S, > immediately compile @@ -1534,13 +1534,13 @@ beginfigm("t:EN","v:Cytosine") > select EN="Cytosine" endfigm > %------------------------------------------------------------------------------ beginfigm("t:n","v+:4") > v+:4 = select No.4 - if mc_check(mc)=0: MC(scantokens(mc)) fi > keep file open + if mc_check(mc)=0: MC(scantokens(mc)) fi > keep file open endfigm > %------------------------------------------------------------------------------ forever: %%%%%%%%%% beginfigm("f:mcf_library","v+:*") > select all beginfigm("f:mcf_library","t:EXA","v+:1") > 'v+:1'= select EXA=1 - if f_EOF=0: if mc_check(mc)=0: MC(scantokens(mc)) fi fi > keep file open + if f_EOF=0: if mc_check(mc)=0: MC(scantokens(mc)) fi fi > keep file open endfigm > exitif f_EOF=1; > exit if file end endfor @@ -1553,58 +1553,61 @@ bye \subsection{Molecular library file} \begin{verbatim} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% molecular library file mcf_library.mcf by Akira Yamaji 2022.03.13 +% molecular library file mcf_library.mcf by Akira Yamaji 2022.08.21 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line "%" comment out -% first character of line "+" begin MCF -% first string of line "+-" end MCF -% Cat = Category +% first character of line "+" start,stop MCF +% Cat = Category,EN = Name,MW = Molecular weight %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -Cat:biological;EN:Adenine;MW:135.13 +%============================================================================== +% molecular data for mcf_example.tex EXA:1[155] EXA:2[7] +%============================================================================== +Cat:biological;EN:Adenine;MW:135.13;EXA:1 + <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH -+------------------------------------------------------------------------------ -Cat:biological;EN:Guanine;MW:151.13 ++ +%------------------------------------------------------------------------------ +Cat:biological;EN:Guanine;MW:151.13;EXA:1 + <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2 -+------------------------------------------------------------------------------ -Cat:biological;EN:Cytosine;MW:111.10 ++ +%------------------------------------------------------------------------------ +Cat:biological;EN:Cytosine;MW:111.10;EXA:1 + <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2 -+------------------------------------------------------------------------------ -Cat:biological;EN:Thymine;MW:126.11 ++ +%------------------------------------------------------------------------------ +Cat:biological;EN:Thymine;MW:126.11;EXA:1 + <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_ -+------------------------------------------------------------------------------ -Cat:biological;EN:Uracil;MW:112.09 ++ +%------------------------------------------------------------------------------ +Cat:biological;EN:Uracil;MW:112.09;EXA:1 + <30,?6,6=dl,{3,5}://O,{2,4}:NH -+------------------------------------------------------------------------------ -Cat:biological;EN:Geraniol;MW:154.25 + -<30,!8,OH,{2,6}=dr,{2,6}:/_ -+------------------------------------------------------------------------------ -Cat:biological;EN:Limonene;MW:136.24 +%== Amino acid ================================================================ +Cat:biological;EN:Glycine;MW:75.07;EXA:- ++ +<30,NH2,!2,COOH ++ +%------------------------------------------------------------------------------ +Cat:biological;EN:Glycine;MW:75.07;EXA:- ++ +<30,NH2,!2,COOH + -<30,?6,2=dl,2:/_,@5,*\,/_,!! -+------------------------------------------------------------------------------ -Cat:biological;EN:l-Menthol;MW:156.27 +%------------------------------------------------------------------------------ +Cat:biological;EN:L-Alanine;MW:89.10;EXA:- + -<30,?6,2:/*?!,5:*/_,3:*/OH -+------------------------------------------------------------------------------ -Cat:biological;EN:Vanillin;MW:152.15 +<30,NH2,!~wb,?!,COOH + -<30,Ph,2:/OH,3:/O!,5:/CHO -+------------------------------------------------------------------------------ -Cat:biological;EN:Allicin;MW:162.28 +%------------------------------------------------------------------------------ +Cat:biological;EN:L-Valine;MW:117.15;EXA:- + -<-30,!!,!2,SO,!,S,!2,!! -+------------------------------------------------------------------------------ -Cat:biological;EN:Stearic acid;MW:284.48 +<30,NH2,!~wb,/?!,!,COOH + -<30,!17,COOH -+------------------------------------------------------------------------------ +%------------------------------------------------------------------------------ \end{verbatim} %------------------------------------------------------------------------------ \noindent% @@ -1646,25 +1649,30 @@ mc_query("Cat=biological","MW>=285","MW<=290","a:EN"); Cat:biological;EN:Atoropin;MW:289.375;EXA:1 + <30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv -+------------------------------------------------------------------------------ ++ +%------------------------------------------------------------------------------ Cat:biological;EN:Luteolin;MW:286.24;EXA:- + <30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH -+------------------------------------------------------------------------------ ++ +%------------------------------------------------------------------------------ Cat:biological;EN:Lycorine;MW:287.315;EXA:1 + <30,Ph,{-4,-2}=?6,{6,(9,12)}=?5,13=dl,8:N,{15,17}:O, {9'^180,10^60}:*/H,{13,14'}:*/OH -+------------------------------------------------------------------------------ ++ +%------------------------------------------------------------------------------ Cat:biological;EN:Morphine;MW:285.343;EXA:1 + <30,Ph,{2,-4}=?6,(1,12)=?5[2],-1:O,-1=zb, @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH -+------------------------------------------------------------------------------ ++ +%------------------------------------------------------------------------------ Cat:biological;EN:Piperine;MW:285.343;EXA:1 + <30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,//O,!,?6,-6:N -+------------------------------------------------------------------------------ ++ +%------------------------------------------------------------------------------ \end{verbatim} %------------------------------------------------------------------------------ \noindent% |