Dear Pymol users,
I wish to know how to calculate residue-residue contacts from a PDB file.
Where, contact definition is : two residues are considered to be in contact
if the
minimal distance of their side chain or backbone heavy atoms is < 5.5A ˚ .
Specifically, I want to calculate inter-helical
Dear Pymol users,
I wish to know how to calculate residue-residue contacts from a PDB file.
Where, contact definition is : two residues are considered to be in contact
if the
minimal distance of their side chain or backbone heavy atoms is < 5.5A ˚ .
Specifically, I want to calculate inter-helical
helix2 within 5.5 of helix1) or (helix1 within 5.5 of
> helix2)
>
> # visualize contacts
> show sticks, cont_1_2
>
>
> Hope that helps.
>
> Cheers,
> Jared
>
> --
> Jared Sampson
> Xiangpeng Kong Lab
> NYU Langone Medical Center
> http://kong.med.ny