Hi Vincent
I am a fan of QtPISA from the CCP4 gui. This produces a list of
interfaces by symmetry operation. This is of course mainly for the
larger interfaces contributing to the biological assembly but all the
other interfaces are listed.
QtPISA finds the residues buried or H-bonding at interfaces. So of
course in the former case they may not actually contact the other
chain - just be excluded from solvent by its binding. However I find
this type of situation to be quite rare in the protein:protein
interfaces I have looked at, and it is likely to be even more rare in
crystal contacts.
If you want to find actual contacts there is Tadeusz Skarzynski's
CCP4 program CONTACT - there are good example scripts for that.
regards
Martyn
Martyn Symmons, Cambridge
On Thu, Sep 8, 2016 at 9:07 AM, vincent Chaptal <[log in to unmask]> wrote:
> Dear community,
>
> I would like to count crystal contacts bewteen ASU and symmetrics along the
> cell axis (a, b, c).
>
> Could someone point to me a way to do this?
>
> Thank you very much in advance.
> vincent
>
>
> --
>
> Vincent Chaptal, PhD
>
> Institut de Biologie et Chimie des Protéines
>
> Drug Resistance and Membrane Proteins Laboratory
>
> 7 passage du Vercors
>
> 69007 LYON
>
> FRANCE
>
> +33 4 37 65 29 01
>
> http://www.ibcp.fr
>
>
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