Dear Craig,
It seems Refmac is not reading the user supplied dictionary. I expected a line
near Makecif parameters like this.
"User supplied dictionary entries: /home/pathak/junk.cif"
regards
Manish
Craig McElroy <[EMAIL PROTECTED]> wrote: 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
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