Re: [ccp4bb] CNS refinement problem

- Protein crystallography

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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From: Filip Van Petegem filip {- dot -} vanpetegem {- at -} GMAIL {- dot -} COM
Date: 2008-09-06

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Date: 2008-09-07

Subject: Re: CNS refinement problem
From: Axel Brunger brunger {- at -} STANFORD {- dot -} EDU
Date: 2008-09-06

This sounds to me like a compiler problem on your machine. Try using
the latest Intel Ifort, Portland Group pgf95, or GFORTRAN compiler.

Axel Brunger

On Sep 12, 2008, at 2:56 AM, jxqi wrote:

> Dear ccp4bbs,
>
> When I was refining a protein structure using the rigid.inp in
> CNS(Version 1.21), an error occured saying that the asymmetric map
> unit is incompatible with the symmetry operator.The model I used was
> first refined by the Rafmac5.I had met the same problem when I tried
> to add water molecues using the waterpick.inp program.
>
>
> %XMDOAS3 error encountered: Asymmetric map unit is incompatible with
> symmetry operators.
> (CNS is in mode: SET ABORT=NORMal END)
> *****************************************************
> ABORT mode will terminate program execution.
> *****************************************************
>
> Thank you very much for your suggestions!
>
> Best
> Janxon

Axel T. Brunger
Investigator, Howard Hughes Medical Institute
Professor of Molecular and Cellular Physiology
Stanford University

Web: http://atbweb.stanford.edu
Email: brunger@stanford.edu
Phone: +1 650-736-1031
Fax: +1 650-745-1463

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Protein Color
From: Filip Van Petegem filip {- dot -} vanpetegem {- at -} GMAIL {- dot -} COM
Date: 2008-09-06

Next message:
Subject: Catalase crystals
From: Barry Silver b {- dot -} r {- dot -} silver {- at -} WARWICK {- dot -} AC {- dot -} UK
Date: 2008-09-07