Hi Afshan,
This is not the solution if you are right about the problem being one of
chirality (and it is if it is not and is merely an issue of nomenclature
(as I suspect is the case)). So the question is, if the problem is
indeed one of nomenclature, what software (if any) described it as a
chirality issue? If it is one of ours we should fix that.
Paul
On 05/01/12 11:44, Robbie Joosten wrote:
Hi Afshan,
Just swap the (names of) the CD and CG atoms, no need for refinement.
The CCP4 dictionary allows both chiralities for LEU and VAL, so Refmac
won't detect the problem. The problem is still very real to many
programs so it should be fixed.
Cheers,
Robbie Joosten
------------------------------------------------------------------------
Date: Thu, 5 Jan 2012 02:46:30 -0800
From: afshan...@yahoo.com
Subject: [ccp4bb] chirality problem
To: CCP4BB@JISCMAIL.AC.UK
Dear Users,
I am facing difficulties to validate my structure according to PDB
server. I have solved my structure and now want to submit in PDB but
during validation process i have some chirality problem specially
VAL and LEU amino acids there are total 18 amino acids which deviated
from the chirality so how can i solve this problem.
Any suggestion would be highly appreciated.
Best Regards
AFSHAN
