There is a new CCP4 program NCONT where you can specify atom radius and
what is in contact with what..
For close contacts set all atom radi 1A say, and search from ligand to
protein..
Eleanor
It is in the latest GUI under structure analysis.. Analysis molecular
contacts.
ursula schulze-gahmen wrote:
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I am analysing intermolecular interactions between a protein and its
ligand. I used the ccp4 program CONTACT so far. I would also like to
look at the possibility that there might be unfavorably close
contacts. Is there a program that can do this analysis and identify
unfavorable contacts, or do I just need to look at all the
interactions and figure out if some of them are too close.
Ursula
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