Can you be a bit more specific? Are you trying to use the command-line interface? If so, what version of Open Babel are you using? Older versions will only save one conformer.
Thanks very much, -Geoff On Nov 5, 2012, at 9:01 AM, Ioanna Kalvari wrote: > Hello, > > I am trying to generate conformations out of smiles strings. Followed your > example using the ConformerSearch class but it appears as though I cannot > write the multiple conformers in a single sdf file. The only information > written when attempt to write the OBMOL object is the initial molecule. I > would like to know if there is a specific way to do this. In your pdf > documentation at some point you mention a parameter --writeconformers but > can't find a corresponding example of how that may be implemented. I want to > use the conformers in docking experiments and it is important that I get this > information somehow. > > Look forward to receiving your advice. > > Kind Regards, > > Ioanna Kalvari > > ------------------------------------------------------------------------------ > Everyone hates slow websites. So do we. > Make your web apps faster with AppDynamics > Download AppDynamics Lite for free today: > http://p.sf.net/sfu/appdyn_d2d_nov_______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_nov _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
