AMBER Archive (2009)
Subject: [AMBER] non standard residue
From: Neha Gandhi (n.gandhiau_at_gmail.com)
Date: Mon Jul 06 2009 - 03:07:35 CDT
I have a protein structure (protein.pdb) and it has a residue called ACA in
chain C. I have prepared lib file (ACA.lib). Then I describe head and tail
group of this non standard residue. I saved the file as ACA.lib. I m yet to
calculate the charges.
I try to load the whole protein after loading the lib file. The N-terminal
of ACA residue connects well with the previous residue but the C-terminal of
this residue misses out the connectivity with the N atom of the proceeding
residue which is MET.
Your help is appreciated.
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
- application/octet-stream attachment: ACA.lib.x
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