I have found a 'feature' in molprobity. if there are two atoms on top
of each other (not hard to do by mistake when adding waters in coot),
then molprobity does not work or at least does not give the outputs
required to then give the coot molprobity checklist file our of the
ccp4i2 refmac interface. A check at some point for this mistake would
be good to throw out a clear error message.
Best wishes
Nick
--
Prof Nicholas H. Keep
Executive Dean of School of Science
Professor of Biomolecular Science
Crystallography, Institute for Structural and Molecular Biology,
Department of Biological Sciences
Birkbeck, University of London,
Malet Street,
Bloomsbury
LONDON
WC1E 7HX
email [email protected]
Telephone 020-7631-6852 (Room G54a Office)
020-7631-6800 (Department Office)
Fax 020-7631-6803
If you want to access me in person you have to come to the crystallography
entrance
and ring me or the department office from the internal phone by the door
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