> That would be a big move. We'd need to see what Eric Martz and > company think, since that would definitely change the molecular > surface visualization for traditional PDB files. (It would, of > course, CORRECT the visualizations for H-containing PDB files, but I > think that's a small subset of what is out there.)
(Just for documentation while the main discussion is going on) Current stats at PDB say: X-Ray: 53815 structures (those have no hydrogens) NMR: 8190 structures (those have hydrogens) :: that's 13% > One question is: What do programs such as Pymol or VMD do? Do they > first add hydrogens and then do a Babel-type VDW -based surface? Can > someone check on this? I'll try to check that with a friend ------------------------------------------------------------------------------ This SF.Net email is sponsored by the Verizon Developer Community Take advantage of Verizon's best-in-class app development support A streamlined, 14 day to market process makes app distribution fast and easy Join now and get one step closer to millions of Verizon customers http://p.sf.net/sfu/verizon-dev2dev _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
