[AMBER] nativecontacts

From: mohamed marzouk <mohamedmarzoukphysics.gmail.com>
Date: Wed, 29 Apr 2020 15:35:04 +0900

Hello everyone;
I want to know the contact residues between protein and DNA in complex at 5A as example, so it’s easy to use nativecontacts function in cpptraj. However I want to know only the residue of contacts without repeat for every atom.
To indicate by example
I need to get residues from DNA are 2,4,6,78,89 and so on, but the out put may write residue 4 for 6 times due to 6 different atoms from 4th residue make 6 contacts with residue from protein I am not interesting in this repeatation.
How can I get this desired contacts for residues without repeat for every atom???
Best regards,
Mohamed Marzouk Sobeh
Ph.D student at Life Science and Technology, Tokyo Institute of Technology, Tokyo, Japan.
T.A Physics department,Ain Shams University, Cairo, Egypt.

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Received on Wed Apr 29 2020 - 00:00:03 PDT
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