By the way how I have the slightly another task- I want to see all VDV
contacts surrounded selected residues. What should I make changes in the
Thomas's script for that ?
e.g firstly I've defined another residues in that case I have only one type
of residues- all hydrophobic residues. But what exa
Thanks, Thomas!
Your script works fine. I've tested in one pdb structure and it finds all
polar and salt-bridges perfectly.
As I've understood this script also is usefull for examination of the
ensemble of pdb structures in NMR-like format ( each pdb structure as the
individual state in pymol) is
Hi James,
maybe something like this could help. It finds contacts between charged
sidechains and prints the number of contacts in each state (requires
get_raw_distances from [1] or [2]).
# region of interest
select roi, chain A
# charged res
