ccp4bb  

Re: [ccp4bb] Alternatives to ChemDraw 3D

Martin Stoermer
Mon, 08 Feb 2010 16:56:42 -0800

This may be somewhat convoluted but for this exact purpose try ZINC. For other drawing things then yes use one of the other packages

http://zinc.docking.org/

Draw the molecule using the widget, save the smiles file and let their server make the 3D version for you, properly protonated etc. And you get things like logP, and other descriptors as well.

true you get it as .mol2.gz or .sdf.gz but babel is your friend

-Martin