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 wrote:
> The old fashioned water tidy will try to assign matching (non-standard)
> names to
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 and
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
> Dear all,
>
> I have a refine structure with 8 ncs copies and several hundreds of
> water mo
Dear all,
I have a refine structure with 8 ncs copies and several hundreds of
water molecules (which was put in one chain). Now I try to separate
these molecules by renaming to the chain id of each adjacent protein
molecule. I know RCSB can do this during deposition process. Do anyone
know a progr
