The old fashioned water tidy will try to assign matching (non-standard) names
to matching H2Os which is useful for analysis of structural waters, but cannot
be deposited.
I think coot has a tool to move waters to be near the protein but maybe that
isn't all you want. Why not start deposition
Thank you all for quick replies. The issue has been solved by using
sortwater and a little manual editing. Using PDBe could be a easier
way. Next time I may try it.
Best,
Zhiyi
On 7/31/12, Eleanor Dodson eleanor.dod...@york.ac.uk wrote:
The old fashioned water tidy will try to assign matching
Dear Zhiyi,
I think that sortwater (http://www.ccp4.ac.uk/html/sortwater.html), will do
something along what you want. Remember to read the documentation ;-)
Best regards,
Folmer
2012/7/30 Zhiyi Wei ustcwebri...@gmail.com
Dear all,
I have a refine structure with 8 ncs copies and several
