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Dear Dipankar,
according to the log-file, the restraints-file was not read in the
second time you ran refmac5. It should otherwise be listet in the
section underneath "Information from CCP4Interface script" where it is
mentioned as "LIBOUT" instead of
Hi,
did you check in the refmac logfile that the cif file created at the
first step was actually read ?
If it is, you will have to carefully check the cif file and you ligand
structure :
1) is the ligand structure included in the PDB at the fisrt step
complete ?? Maybe you included only a part
Dear All,
As I am practicing new in the crystallography, I am facing some difficulties in
refining the ligand bound structure. Protein I am working with has SG P212121,
it's a dimer. I fitted the ligand on the density with
COOT-->calculate-->Model/Fit/Refine-->Rotate/Translate Zone. Then I merg
