generate the pictueres of mapped reaction in command line

User 230b49d915

08-03-2016 07:54:49

when I  use the standardize map a reaction:


standardize  -c  "mapreaction : MappingStyle='CHANGING' "  "CCC(=O)N.O>>CCC(=O)O.N"  -o  reaction.smiles


how could I add some parameters  or use other command to generate the pictures with atom number  of  mapped reaction (reaction.smiles)  in command line?


thanks!

ChemAxon e08c317633

10-03-2016 13:24:24

Here is an example how to generate the PNG image of the mapped reaction:


standardize -c "mapreaction:MappingStyle='CHANGING'" "CCC(=O)N.O>>CCC(=O)O.N" -f png:amap,w600h400 -o mapped.png


See image export options for more.