AMBER Archive (2009)

Subject: [AMBER] Chirality error in pdb

From: xiawei (weixia1984_at_hotmail.com)
Date: Wed Aug 26 2009 - 02:02:43 CDT

Hi, everyone:I have tried to calculated a protein structure with cyana andthen refine it in amber7 with energy minimization.However, the amber output pdb file contained the chirality error for the THR CB atom.For THR, CB chirality should be R-form, after amber, most of the THR became S-form!
But in original cyana pdb, no chirality errors were found.I think the calculation in amber caused the problem, can anyone give me some suggestions?Thanks in advance!
Best!
XIA Wei

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