> Is there any software able to convert a SMILES string which includes > square planar quirality into any 3D-file format ? I've tried like > dozens, but no one has been able to recognize the SP "tag".
Actually, the current development trunk of Open Babel does recognize square-planar chirality and the "SP" designation. I haven't tested it specifically, but yes, the 3D generator should handle this. https://sourceforge.net/projects/openbabel/files/openbabel-snapshots/ Please let us know if it works to your satisfaction. Hope that helps, -Geoff ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
