[phenixbb] phenix.refine: Override 'Number of bonds with excessive lengths'
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Mon Aug 4 12:46:57 PDT 2008
Hi Martin,
> Is there a way to override the phenix.refine Setup Restraints Manager,
> preventing phenix.refine from terminating if the model features a lot
> of excessive bond lenghts?
Not with a parameter, but you can force it like this:
Edit the file
$PHENIX/mmtbx/mmtbx/monomer_library/pdb_interpretation.py
Look for these lines (around line 2628):
raise Sorry("Number of bonds with excessive lengths: %d" %
excessive_bonds.size())
Comment out:
#raise Sorry("Number of bonds with excessive lengths: %d" %
# excessive_bonds.size())
Ralf
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