When I deposit at the EBI the deposition software moves solvent to
assocoiate with a protein molecule. If that has been done, those
messages would mean that the solvent is indeed unconnected to anything.
It seems a bit unlikely chemically - and I would check the maps..
has something beem missed?
Eleanor
Kevin Jude wrote:
Probably, you have built water molecules that are associated with
symmetry-related macromolecules rather than the host molecule. Turn
symmetry on, check the nearest neighbors of the offending waters, and move
the waters close to the host molecule if appropriate. I believe you can do
this with the CCP4 program watertidy.
kmj
On Thu, Mar 11, 2010 at 12:15 PM, Azadeh Shahsavar <
[email protected]> wrote:
Dear All,
In depositing a pdb file, after validation step, an error comes up:
*Solvent Atoms* The following solvent molecules lie farther than expected
from the protein.
Can any one give me some advice about it?
deleting these water molecules results in a large increase of R factor, by
the way.
Thank you in advance,
A
