Hi, Pymol Users, I used this script to find hydrogen-bond in protein, list_hb.py.
list_hb all, all, write_distances_file=hb I find there are some pairs are clearly not hydrogen bonds, e.g. A/VAL`257/O/774 A/MET`261/O/834 2.87 Also, the angle is not right for certain pair A/HIS`400/NE2/2977 B/GLN`403/OE1/7093 2.66 In the protein, the angle between NE2-H-OE1 is 100.8 deg Any suggestion to find out the correct hydrogen-bonding pairs? Thanks!
_______________________________________________ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
