Hi Kelly, With retain_order=1, PyMOL will sort by rank, which is the order of time of loading the structure. By setting all rank values to the same value, you'll get segi/chain/resi sorting. So to preserve rank based sorting only for non-solvent, you can do this:
set retain_order alter solvent, rank=-1 sort This will sort solvent to the beginning. To put it to the end, pick a number which is beyond the atom count. set retain_order alter solvent, rank=9999 sort The atom ID is never used for sorting. But you could incorporate it in the ranks: set retain_order alter solvent, rank=9999 + ID sort Cheers, Thomas > On Jul 18, 2017, at 2:09 PM, Kelly Tran <k...@georgetown.edu> wrote: > > Hi, > > I'm using PSICO to write a DCD. Is it possible to retain the original order > for one segment (protein) while sorting by atom ID for another segment > (water). > > Thank you, > > Kelly -- Thomas Holder PyMOL Principal Developer Schrödinger, Inc. ------------------------------------------------------------------------------ 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
