Hi Katja,
I think you can do this just by hand in coot (environmental distances) or in
pymol/ccp4mg, even if it´s diffult to show all residues around an active site
in one picture.
M.
--- Katja Schleider schrieb am So, 14.2.2010:
Von: Katja Schleider
Betreff: [ccp4bb] Ligplot for active s
Correction - 2.4 on the HOH-Na distance. Should have read the book, I guess.
-Original Message-
From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of
Bernhard Rupp
Sent: Monday, February 15, 2010 12:42 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Distinguishing Betwee
Try USF STAN server and run WASP.
http://alpha2.bmc.uu.se/usf/
It picks up waters which could be potential cations based on geometry; it works
well in our
hands, but misses those ions for which ligands come are generated by
crystallographic
symmetry; if this is important, then expand your AU
HOH-Na distance about 2.1 A.
Marjorie Harding's web page has a distance/geometry listing
and derived table is in my appendix (I mean the one of the book..)
http://tanna.bch.ed.ac.uk/index.html
http://eduliss.bch.ed.ac.uk/MESPEUS/
BR
-Original Message-
From: CCP4 bulletin board [mailto:
Dear Crystallographers,
I am looking at a 1.0 Angstrom structure which contains many waters, but I
am wondering whether some of them might really be sodium ions. Is there any
straightforward way to distinguish between these two, and if so, what is the
software which implements this? Although t
Unique oportunity for a permanent position as platform manager at the
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The Paul Scherrer Institute is with 1300 employees the largest research
centre for the natural and engineering sciences in Switzerland and a
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Dear Xtalographers,
has someone out there ever used publBio, a tool for preparing
manuscripts for publication (e.g. to Acta Cryst.)?
What was your experience?
BR,
Klaus
Dr. Klaus Piontek
Albert-Ludwigs-University Freiburg
Institute of Organic Chemistry and Biochemistry, Room 401 H
Albert
Serge,
this might indeed be the problem for some, but my MacBook is of an older
vintage and only has one GPU.
Andreas
On 15/02/2010 10:10, Serge Cohen wrote:
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For what it is worth (I'm fairly confident that indeed this is not the cause of
the
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Hash: SHA1
For what it is worth (I'm fairly confident that indeed this is not the cause of
the problem you are seeing, but better checking than missing the point):
The current MacBook Pro also have two GPU, one integrated in the chipset and a
more powerful ded
Dear all,
I am working on a structure with resolution up to 2.7 Ang.in space group
P43212. I am able to fit two molecules of this 10 Kd protein in the asymmetric
unit using PHASER, however the solvent content was only 30 % and matthews
coefficient was around 1.70.
After molecular replaceme
Hey Rui,
for what it's worth, I had a very similar problem. I upgraded a MacBook
Pro to OSX SP6 and got extra-slow graphics and a wildly flickering PyMOL
window - only on the laptop screen, though. On the external screen,
PyMOL looked ok. Ray-tracing was painfully slow in either window.
W
(B355) Post-doctoral Training Fellow - Cancer Research UK Centre for
Cancer Therapeutics
Section of Cancer Therapeutics (including the Cancer Research UK
Centre for Cancer Therapeutics)
The Institute of Cancer Research (a college of the University of
London) is a world-class cancer resear
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