> Furthermore, why do I get no co-ordinates? I started from a 3D molecule. So you'll want to add a --gen3d to your command-line. (I'd feel a bit better if it was in 2 steps: generate coordinates, then conformer search, but it looks OK on one command-line.)
Hope that helps, -Geoff ------------------------------------------------------------------------------ Cloud Services Checklist: Pricing and Packaging Optimization This white paper is intended to serve as a reference, checklist and point of discussion for anyone considering optimizing the pricing and packaging model of a cloud services business. Read Now! http://www.accelacomm.com/jaw/sfnl/114/51491232/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
