Hi Pete,
A couple of observations with this. I found when doing cell refinement
with Mosflm setting a conservative resolution limit *was* very helpful
in making sure that the refinement was stable. But then switching back
to the full detector area for integration was fine after that. However
-
Dear Gerard,
That will be an extremely useful facility. Is a 'regrading' of the
monomer library planned, at least for common cofactors and
crystallization additives?
Best wishes, George
On 03/19/2012 06:22 PM, Gerard Bricogne wrote:
Dear all,
The generation of reliable restraints
I would call it 'upgrading'.
Best wishes,
Herman
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
George Sheldrick
Sent: Tuesday, March 20, 2012 8:57 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Announcing a Web Server for the Grade ligand
Hi Jacob,
Therefore, I was thinking an exposure-dependent parameter might be
introduced into the atomic models, as an exposure-dependent occupancy of
sorts. However, this would require refinement programs to use individual
observations as data rather than combined reflections, effectively
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I would like to use this to check an existing ligand. I have the PDB
refined according to a cif file, and that cif file used for input to REFMAC
and phenix.
I dont want to lose the atom names assigned there so is it possible to
start GRADE with one of those inputs or do I have to convert it
Patrick,
This thing all things devours:
Birds, beasts, trees, flowers;
Gnaws iron, bites steel;
Grinds hard stones to meal;
Slays king, ruins town
And beats high mountains down.
Answer: TIME
When scaling up in seeding the most important factor is: TIME
While the environment may be the
Dear Crystallographers:
I am mapping out van der Waals contacts between a small molecule and a
protein. What are the generally accepted limits for positive van der Waals
interactions? I am defining van der Waals interactions as the energy of
interaction between permanent dipoles, plus the
On 20 Mar 2012, at 12:34, Eleanor Dodson wrote:
I would like to use this to check an existing ligand. I have the PDB refined
according to a cif file, and that cif file used for input to REFMAC and
phenix.
I dont want to lose the atom names assigned there so is it possible to start
GRADE
Dear CCP4
any reason why this has not been posted yet to the mailing list?
with best wishes,
Alessio
-- Forwarded message --
From: Alessio Ciulli aciu...@gmail.com
Date: Mon, Mar 19, 2012 at 11:00 AM
Subject: PhD Studentship at the University of Cambridge: Chemical Probes of
Hi Alessio,
Just to let you know, the advertisement was posted to the CCP4bb. I
received it yesterday. Hope this helps.
Best,
Ellene
On 20 March 2012 15:32, Alessio Ciulli aciu...@gmail.com wrote:
Dear CCP4
any reason why this has not been posted yet to the mailing list?
with best wishes,
On Tue, 20 Mar 2012, George Sheldrick wrote:
Dear Gerard,
That will be an extremely useful facility. Is a 'regrading' of the monomer
library planned, at least for common cofactors and crystallization additives?
Best wishes, George
George,
Gerard asked me to reply. Yes providing
Dear Gerard,
This is a marvelous political achievement. For years I have been trying to
convince CCDC to allow us to
provide PURY restraint database http://pury.ijs.si/;, which is a compilation
of CSDB, to unrestrained use to public via a web server interface. Now you
have achieved this with
Dear Gerard,
This is a marvelous political achievement. For years I have been trying to
convince CCDC to allow us to
provide PURY restraint database http://pury.ijs.si/;, which is a compilation
of CSDB, to unrestrained use to public via a web server interface. Now you
have achieved this with
Dear All,
Maybe most of you already knew. I just put my understanding of SDS
page gel storage here, if you want to make gel yourself and safe some
money.
http://www.jinkai.org/SDS_page.html
If I am wrong, please let me know.
Sharing knowledge each other is always joyful.
--
Kevin Jin
Protein
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