Hi Paul On Mon, May 9, 2011 at 1:13 PM, <[email protected]> wrote: > > Dear folks, > > is there a way to add occupancy & B-factors (e.g. 1.00 50.0) to a PDB file? >
At the moment the RDKit has no way of processing PDB files. -greg ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
