Re: [ccp4bb] REFMAC and Hetroatoms

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CCP4bb <-- 2007 <-- September 2007 <-- 19 September 2007

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From: Richard Engh Richard {- dot -} Engh {- at -} CHEM {- dot -} UIT {- dot -} NO
Date: 2007-09-19

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Subject: Re: REFMAC and Hetroatoms
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-09-19

You need the atom name CA and CL moved one space to the left relative to
C O N etc..
And correct the atom type in cols 76?? from C to CL and CA ( again moved
one space to left)
Eleanor

Vineet Gaur wrote:
> Hi all
>
> i am having Ca2+ and Cl- as hetroatoms in my protein structure. while doing
> refinement with REFMAC i m getting following warnings:
>
>
> I am reading library. Please wait.
> mon_lib.cif
> WARNING : residue: CA 994 chain:XX
> different element name: file:"C " dict:"CA "
> WARNING : residue: CL 995 chain:Xa
> different element name: file:"C " dict:"CA "
>
> how can i rectify this problem
>
> thanx in advance
>
> vineet gaur
>
>

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CCP4bb <-- 2007 <-- September 2007 <-- 19 September 2007

Previous message:
Subject: PhD and postdoc positions at Tromsø?
From: Richard Engh Richard {- dot -} Engh {- at -} CHEM {- dot -} UIT {- dot -} NO
Date: 2007-09-19

Next message:
Subject: Summary: pymol movies scripts
From: Sebastiano Pasqualato sebastiano {- dot -} pasqualato {- at -} IFOM-IEO-CAMPUS {- dot -} IT
Date: 2007-09-19