On Wed, May 19, 2010 at 8:34 AM, Rajarshi Guha <rajarshi.g...@gmail.com> wrote: > While this will give you a non-null Point3d object from getPoint3d(), > it is still not a sensible approach as you're dealing with molecules > that have had 3D structures generated for them.
I was assuming that the author knows it is inputing 3D coordinates. Benzene in 3D is still flat, and often placed in the XY plane. But it is still 3D. Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
