sted. Authors will be given the
opportunity to remove the waters or update the coordinates. Authors may choose
to retain the distant waters in the entry.
From: Edward A. Berry
To: CCP4BB@JISCMAIL.AC.UK
Sent: Monday, 7 April 2014, 15:25
Subject: Re: [ccp4bb] R
After deposition (my experience is with RCSB) you will get back a processed
file to verify. See how the waters have been renumbered, and renumber
in such a a way that your original scheme is easily identifiable but in
keeping with whatever the renumbering was trying to achieve- e.g. your
waters X
Hi all,
during deposition of structures the water numbering is frequently changed.
I would love to keep specific numbers for critical water molecules e.g.
in an active site in related proteins (mutants, ligand soaks), to
facilitate easier discussion in a manuscript.
Is there a general agreement h
