[phenixbb] Problems fitting NADH
Phillip Steindel
pstein at brandeis.edu
Fri Mar 30 13:14:50 PDT 2012
Dear all,
I'm trying to fit a NADH into a 1.7 Å structure. LigandFit worked with just the three-letter code (NAI), however phenix.refine won't work with just the model. If I use eLBOW to create restraints, meanwhile, the ligand gets distorted during refinement (non-tetrahedral phosphates, mainly). I'm not sure exactly how I'm supposed to be generating these restraints- any help is appreciated. Thank you,
Phillip Steindel
Theobald Lab
Department of Biochemistry
Brandeis University
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