[PyMOL] list_hb.py

[Chen, Q. <qi...@pi...>]

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!