Re: [PyMOL] Difference between backbone and heavy atom RMSD and how to calculate them in PYMOL

2018-09-05 Thread Thomas Holder
Hi Santrupti, In Chemoinformatics "heavy atoms" are all non-hydrogen atoms. In crystallography, "heavy atoms" could mean the atoms used for experimental phasing, like selenium. I hope these examples answer your questions: # non-hydrogen RMSD align prot1 & not hydro, prot2 & not hydro, cycles=0

[PyMOL] unsub me gpol...@gmail.com

2018-09-05 Thread Greg Polkinghorn
-- 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.sour

[PyMOL] Hbond to backbone cartoon

2018-09-05 Thread Markus Heller
Hi all, what's the best way to show a hydrogen bond to a backbone atom in the following scenario: Protein shown as cartoon, ligand as sticks, binding site residues (within 5A of ligand) shown as lines, and sidechain help is on. If the ligand forms a hydrogen bond with a backbone atom, the dash