On Mon, May 9, 2011 at 7:29 PM, Andrew Fant <[email protected]> wrote: > > If you need to work with PDB files, you might look at biopython, which has > support for that format available. I don't know specifically about occupancy > and B-factors, but it would be someplace to start. >
Along those lines, another one worth looking at is Open Structure (http://www.openstructure.org/). Marco Biasini did a presentation on this impressive-looking system at the MIOSS meeting last week. -greg ------------------------------------------------------------------------------ Achieve unprecedented app performance and reliability What every C/C++ and Fortran developer should know. Learn how Intel has extended the reach of its next-generation tools to help boost performance applications - inlcuding clusters. http://p.sf.net/sfu/intel-dev2devmay _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
