MolProbity works on chains present in the pdb file.
Therefore, I would predict that if the pdb file can be made to consist
of several chains (built by symmetry operations) and bearing each a
distinct chain name, then MolProbity would (artificially) work on
symmetry-related molecules as well.
Nadir
Pr. Nadir T. Mrabet
Structural & Molecular Biochemistry
N-gere - INSERM U-954
University of Lorraine, Nancy
School of Sciences and Technologies
& School of Medicine
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On 23/10/2014 13:06, "Oliver Smart" wrote:
on 23/10/14 11:52 AM, Tim <[email protected]> wrote:
Hi everybody,
Molprobity does not take into account contacts/clashes from
symmetry-related molecules, or does it?
Thanks in advance,
Tim
Tim,
I am not sure. In my experience MolProbity reduce does not take crystal
contacts
into account (but reduce does a great job otherwise). But this might have
been improved.
Oliver
-----------------
Dr Oliver Smart
Director SmartSci Limited http://www.smartsci.uk/
& Consultant Global Phasing Ltd http://www.globalphasing.com/
