> One more thing, why do we have two different codes obprop and > obrotamer, is it possible to include print rotatable bonds by > running obprop , can we do that.
The definition of rotatable bonds is slightly different. The obprop program uses a general rule -- think of it as indicating the approximate number of rotatable bonds (based on cheminformatics). The obrotamer program actually generates rotamers/conformers. So it has a set of patterns for what bonds can be rotated. Hope that helps, -Geoff ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
