diff options
Diffstat (limited to 'graphics/mcf2graph/mcf_manual.tex')
-rw-r--r-- | graphics/mcf2graph/mcf_manual.tex | 36 |
1 files changed, 19 insertions, 17 deletions
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex index e3aac3ed4b..ccfdd511ab 100644 --- a/graphics/mcf2graph/mcf_manual.tex +++ b/graphics/mcf2graph/mcf_manual.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2022.05.08 +% Molecular Coding Format manual by Akira Yamaji 2022.06.12 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%\usepackage{graphicx} @@ -1559,10 +1559,8 @@ bye % first character of line "%" comment out % first character of line "+" begin MCF % first string of line "+-" end MCF -% first string of line "%-" end header % Cat = Category %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%------------------------------------------------------------------------------ Cat:biological;EN:Adenine;MW:135.13 + <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH @@ -1620,39 +1618,43 @@ Cat:biological;EN:Stearic acid;MW:284.48 % % "f:filename" : input file name (default "mcf_library.mcf") % "o:filename" : output file name (default "temp.mcf") -% "s:sort-key" : sort by sort-key +% +% "a:sort-key" : sort by sort-key ascending +% "d:sort-key" : sort by sort-key descending % % operator : = , <> , <= , >= , < , > % % filter 1 : Cat=biological % filter 2 : MW>=285 % filter 3 : MW<=295 +% %-------------------------------------------------------------- -mc_query("s:EN","Cat=biological","MW>=285","MW<=295"); +mc_query("Cat=biological","MW>=285","MW<=290","a:EN"); %-------------------------------------------------------------- -forever: - beginfigm("f:temp","v+:*") % use file temp.mcf / select all - if f_EOF=0: if mc_check(mc)=0: MC(scantokens(mc)) fi fi - endfigm - exitif f_EOF=1; -endfor -%--------------------------------------------------------------- \end{verbatim} %--------------------------------------------------------------- \paragraph{(output)} \begin{verbatim} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% Input : mcf_library.mcf [506] +% Output : temp.mcf [5] +% Filter(1): Cat =biological +% Filter(2): MW >= 285 +% Filter(3): MW <= 290 +% Sort key : EN (ascending) +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Cat:biological;EN:Atoropin;MW:289.375;EXA:1 + -<30,O,!,//O,!,!,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv +<30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv +------------------------------------------------------------------------------ -Cat:biological;EN:Cianidanol;MW:290.27;EXA:1 +Cat:biological;EN:Luteolin;MW:286.24;EXA:- + -<30,Ph,3=?6,@8,*\,Ph,7:O,{1,5,13,14}:/OH,9:/*OH +<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:/*H^180,10:*/H^60,13:*/OH,14:/*OH + {9'^180,10^60}:*/H,{13,14'}:*/OH +------------------------------------------------------------------------------ Cat:biological;EN:Morphine;MW:285.343;EXA:1 + @@ -1661,7 +1663,7 @@ Cat:biological;EN:Morphine;MW:285.343;EXA:1 +------------------------------------------------------------------------------ Cat:biological;EN:Piperine;MW:285.343;EXA:1 + -<30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N +<30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,//O,!,?6,-6:N +------------------------------------------------------------------------------ \end{verbatim} %------------------------------------------------------------------------------ |