Hi, I exported a PDB file from PyMOL that includes explicit water from a dynamics track. However, many of the solvent molecules are either doubled (same residue number for two different waters) or truncated (missing a hydrogen, or a hydrogen given a separate residue number). I am assuming that PyMOL assigns bonds based on distance between atoms, is there a way to minimize this? The RCSB doesn't like my current PDB file!
Thanks, Tom Pochapsky ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ 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
