Re: [Rdkit-discuss] Beta of Q3 2013 release available

2013-10-25 Thread ro...@nextmovesoftware.com
Hi James and Greg, On Oct 25, 2013, at 4:03 AM, Greg Landrum wrote: > 1. Do I remember correctly that there was a proposal (from > Roger) to add some auto bond-type perception to the PDB parser for > ligands (or is that just wishful thinking!)? > > Roger will have to confirm this, but I

Re: [Rdkit-discuss] Beta of Q3 2013 release available

2013-10-25 Thread ro...@nextmovesoftware.com
Hi James, There's something very strange going on here with PyMol. On Oct 25, 2013, at 1:09 PM, James Davidson wrote: > I can't see any double-bonds rendered in PyMOL: > CONECT344 10 Here atom 3 has two bonds to atom 4. Why isn't it displayed double? > This PDB *will* render dou