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 <[log in to unmask]> 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/
>
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