[Bkchem-user] Bkchem and Oasa scripting - getting the MolWeight
From:
Alex Ander
Subject:
[Bkchem-user] Bkchem and Oasa scripting - getting the MolWeight
Date:
Tue, 7 Jun 2011 10:34:37 +0200
Ok, so recently I have been enjoying some of oasa's features of generating pdf's from a list of smiles as input. But, I'd like to have the molecular weight from each of the molecules generated.
Is it possible to get this with the same script? Perhaps outputting to a file?
I may just look for different ways to get this value, but it would be nice to know how to do this in bkchem/oasa.