Indeed, the library file was not being read due to the long names.
Thanks all who responded.
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
Kumar, Abhinav wrote:
Could the length of the path in the file names be an issue?
Your dir names are very long.
You also have this message in the log file:
==> WARNING: HKLIN has not been defined
Maybe using file names without path may help when you have all the files in the
working directory.
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: Craig McElroy [mailto:[EMAIL PROTECTED]
Sent: Wednesday, August 08, 2007 1:27 PM
To: Kumar, Abhinav
Cc: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] refmac5 refinement with PEG400
Just a quick clarification... I'm already using "make check none" in the
script file, and the PEG400 pdb from which I made the library file is
from the HICCUP server and was called 1PE.
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
Kumar, Abhinav wrote:
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:[EMAIL PROTECTED] 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
