[gmx-users] unknown residue (BGC)
Justin A. Lemkul
jalemkul at vt.edu
Wed Jun 13 13:53:24 CEST 2012
On 6/13/12 7:48 AM, delara aghaie wrote:
> Dear Justin
> Thanks again for your response.
> About renaming residue would you pls explain more? On which basis I should
> select the new name?
The contents of the .pdb file and/or the RCSB website from which you downloaded
the file will tell you the exact chemical identity of the unknown species. Once
you have identified what it is, you can choose a suitable name from the known
residues in the force field.
> Also about repairing the pdb file, can you pls introduce me a free suitable
> program for this if exists?
Spend a few minutes Googling. You will find numerous potential solutions.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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