[phenixbb] peptide ligand refinement problems

Mengbin Chen mengbinc at sas.upenn.edu
Tue Aug 20 11:32:19 PDT 2013

Dear Phenix Users,

My colleague has got into trouble when he was refining a peptide ligand
with a coumarin ring attached via a peptide bond. The peptide part is
composed of natural amino acids, which does not require a cif file. On the
other hand, a cif file has been created for the coumarin ring.
Unfortuantely, after the refinement run, the peptide and the coumarin ring
fell apart, and we could not figure out why this is happening. We are using
the Phenix-dev-1370 version. Any help would be appreciated!

Thank you in advance,

Mengbin Chen
Department of Chemistry
University of Pennsylvania
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