Hi Spencer, thanks for the feedback.
Do you know the "organic" keyword? This should usually match what you consider the ligand. It will not distinguish between covalently bound and not covalently bound, though. select ligand, organic & !(bymol polymer) select ptm, organic & (bymol polymer) Cheers, Thomas Spencer Bliven wrote, On 09/11/13 01:14: > Excellent! I had previously been using things like 'not elem c+n+o+h+s' > in my scripts. Using 'metal' will match my intent much better. > 'Sidechain' will be appreciated as well. > > I would suggest 'ligand' and 'ptm' selectors to distinguish nonbonded > and covalently bonded hetatms. Although I'm not sure how non-standard > amino acids would fit in to those terms. > > -Spencer -- Thomas Holder PyMOL Developer Schrödinger Contractor ------------------------------------------------------------------------------ How ServiceNow helps IT people transform IT departments: 1. Consolidate legacy IT systems to a single system of record for IT 2. Standardize and globalize service processes across IT 3. Implement zero-touch automation to replace manual, redundant tasks http://pubads.g.doubleclick.net/gampad/clk?id=51271111&iu=/4140/ostg.clktrk _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
