Water
- Duplicate waters to symmetry related positions.
In crystallography it often happens that a water that sits
at the right side of the molecule is actually the same as a
water that sits at the left side. This server recognises those
cases and duplicates those waters. Please be aware that the
resulting PDB file is stricktly speaking not correct,
and should never be used in conjunction with
symmetry related work.
See also the previous server (because MOVWAT is always done before DUPWAT...).
- List waters near a residue.
List all waters that make a contact with at least
one atom in the requested residue.
- Move waters to symmetry position closest to protein.
In crystallography it often happens that a water that sits
at the right side of the molecule is actually the same as a
water that sits at the left side. This server puts the waters
that can sit at several seemingly equivalent positions at that
position where it makes the closest contact with the protein.
See also the next server.
- Duplicate waters to symmetry related positions.
In crystallography it often happens that a water that sits
at the right side of the molecule is actually the same as a
water that sits at the left side. This server recognises those
cases and duplicates those waters. Please be aware that the
resulting PDB file is stricktly speaking not correct,
and should never be used in conjunction with
symmetry related work.
See also the previous server, because this server also
executes the MOVWAT option.
Further, as water chain identifiers make no longer sense after
running this option, all water chain identifiers will become X
(independent of whether that is needed or not).
If you have detected any error, or have any question or suggestion,
please send an Email to Gert Vriend.
Roland Krause, Maarten L Hekkelman, Jens E Nielsen,
Gert Vriend.
Last modified Mon Jan 29 12:33:00 2018