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: [email protected] 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: [email protected] > 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 > >
