Re: [ccp4bb] refmac5 refinement with PEG400

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

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Subject: refmac5 refinement with PEG400
From: Craig McElroy mcelroy {- dot -} 31 {- at -} OSU {- dot -} EDU
Date: 2007-08-08

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Subject: Re: refmac5 refinement with PEG400
From: Craig McElroy mcelroy {- dot -} 31 {- at -} OSU {- dot -} EDU
Date: 2007-08-08

Subject: Re: refmac5 refinement with PEG400
From: "Kumar, Abhinav" abhinavk {- at -} SLAC {- dot -} STANFORD {- dot -} EDU
Date: 2007-08-08

Trying using "Make check none" in the script file.

Thanks
Abhinav

Stanford Synchrotron Radiation Laboratory
Joint Center for Structural Genomics
Mail Stop 99
Phone: (650) 926-2992
Fax: (650) 926-3292

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Craig McElroy
Sent: Wednesday, August 08, 2007 1:11 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] refmac5 refinement with PEG400

Hi all,
I am trying to refine a structure with a PEG400 molecule using
refmac 5.3. I have created the necessary library file and read it into
the refinement, but for some reason refmac still quites and complains
that it has come across a new ligand. I am obviously doing something
stupid, but could someone please tell me what it is. I have attached the
refmac log file and the library file.
Thanks
Craig

--
Craig McElroy, Ph.D.
Department of Molecular and Cellular Biochemistry
Ohio State University
483 Hamilton Hall
1645 Neil Ave.
Columbus, OH 43210
(614) 688-8630

CCP4bb navigation

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

Previous message:
Subject: refmac5 refinement with PEG400
From: Craig McElroy mcelroy {- dot -} 31 {- at -} OSU {- dot -} EDU
Date: 2007-08-08

Next message:
Subject: Re: refmac5 refinement with PEG400
From: Craig McElroy mcelroy {- dot -} 31 {- at -} OSU {- dot -} EDU
Date: 2007-08-08