Re: [PyMOL] Select crystal waters inside protein

2012-06-28 Thread James Starlight
Hi Thomas, I wounder to know what corrections should I add to the below selection in case of multi state object remove solvent beyond 3.5 of polymer e.g I'm working with the MD trajectory saved in PDB format. I've decided to deleate all solvent from all 100 frames simultaneously but the above c

[PyMOL] Restoring of atom number order

2012-06-28 Thread James Starlight
Dear Pymol Users! I've forced with the problem of missing correct atom numbering order during processing of my pbd structure. E.g I had a mollecule of caffein where each atoms had its own number ( e.g N1 or N3 etc) HETATM 2252 N1 CFF A 330 9.174 -33.156 -31.881 1.00147.73 N H