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

--
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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