[AMBER] Residue mutation and side chains

From: Benjamin Clausen <s153989.student.dtu.dk>
Date: Wed, 12 Sep 2018 11:01:50 +0000


I am trying to carry out a residue mutation in AMBER. As far as I have understood I can use "pdb4amber" to mutate residues, but the resulting mutations only leave the backbone in the pdb file. Is there any way I can make AMBER put in the missing side chain of the mutated residues?

The input I have used for mutation is:
pdb4amber -i in.pdb -o out.pdb -m "94-GLY,94-ASP,217-GLU,217-GLN"

Best regards Benjamin

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Received on Wed Sep 12 2018 - 04:30:01 PDT
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