also very good for final validation
of ions.
Cheers,
Robbie
Sent from my Windows Phone
Van: Edward A. Berry
Verzonden: 9-11-2013 7:29
Aan: CCP4BB@JISCMAIL.AC.UK
Onderwerp: Re: [ccp4bb] monovalent cation binding sites
Thanks, all!
Ed
Nat Echols wrote:
In the latest Ph
ilt. The check my metal server is also very good for final
>> validation of ions.
>>
>> Cheers,
>> Robbie
>>
>> Sent from my Windows Phone
>> ________
>> Van: Edward A. Berry
>> Verzonden: 9-11-2013 7:29
>> Aan: CCP4B
er is also very good for final validation
of ions.
Cheers,
Robbie
Sent from my Windows Phone
Van: Edward A. Berry
Verzonden: 9-11-2013 7:29
Aan: CCP4BB@JISCMAIL.AC.UK
Onderwerp: Re: [ccp4bb] monovalent cation binding sites
Thanks, all!
Ed
Nat Echols wrote:
:29
Aan: CCP4BB@JISCMAIL.AC.UK
Onderwerp: Re: [ccp4bb] monovalent cation binding sites
Thanks, all!
Ed
Nat Echols wrote:
> In the latest Phenix:
>
> mmtbx.water_screen model.pdb data.mtz elements=NA,K
>
> The data are required right now, but I could be convinced to make that
>
Dear Ed,
I imagine this reference:-
http://dx.doi.org/10.1021/ja908703c
Will be of interest.
Best wishes,
John
Prof John R Helliwell DSc FInstP CPhys FRSC CChem F Soc Biol.
Chair School of Chemistry, University of Manchester, Athena Swan Team.
http://www.chemistry.manchester.ac.uk/aboutus/athena/i
Thanks, all!
Ed
Nat Echols wrote:
In the latest Phenix:
mmtbx.water_screen model.pdb data.mtz elements=NA,K
The data are required right now, but I could be convinced to make that optional.
-Nat
Diana Tomchick wrote:
There's a command in coot that identifies "waters" that have an unusually
Hi Ed,
WASP analyse water molecules in high-resolution protein structure to check
if some of those could be metal ions. WASP could be run as a part of STAN
server.
STAN - the STructure ANalysis server from USF (
http://xray.bmc.uu.se/cgi-bin/gerard/rama_server.pl )
One could also identity potenti
Is there a server or program to predict binding sites for monovalent metal ions?
Ideally should work with just the protein structure, but a program that sorts
through
the waters in a high resolution structure and tells which are likely to be K+
or Na+
would also be of interest.
Ed
