Dear all,

We are looking into a way to find clashes / bumps between protein chains (closer than van der Waals contacts).

Ideally, we would like to that with a script, for example, reading in a pdb file, and giving back the number of clashes. Of course, this is possible within Coot or PyMol, but maybe there is a software as part of CCP4 that we can directly use with a script.

Apologies if there an obvious solution that we are currently not aware of.

Many thanks

Best,
Henrike Wagler

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