Hi,

I am a pymol user. 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

How can I do that when I have splitted the ensemble to the 20 structures in pymol?

Cheers Mina

Hi, Hi there,

I am a pymol user. 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