User 895d6088ef
25-01-2016 03:33:07
I found the command line to mapreaction
./standardize in.smiles -c 'mapreaction'
./standardize -ha
mapreaction add atom maps to reaction
(default: complete, keepmapping)
:complete map all atoms
:matching map matching atoms of a reaction
:changing map changing atoms of a reaction
:keepmapping keep existing mapping
:markbonds mark changing bonds
How can I add "changing" parameter to command line?