Hi there, I am trying to compare the H-bonds in two NMR strcutures. So, I need to calculate H-bonds with a cutoff 2.5 and angle 35 angestrom that are availbale in 10 structures out of 20. I run list_hbonds.py as below: list_hb, selection1, cutoff=2.5, angle=35 but it doesn not meet what I want. I want to look at inter and intra H-bonds (between two complexes of the protein and in each chain, too). How can I do that when I have splitted the ensemble to the 20 structures in pymol? Cheers Mina asked Apr 05 '13 at 07:05 dummy2 |