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The Protein Geometry Database looks at proteins as collections of
bond lengths, angles, and torsion angles. It is not the place to go
when you want to know how a protein part is related in space to some
other (covalently) distant part.
Andy
Dear Bernard,
we once worked with a series of protease inhibitors which turned out to be slow
substrates, e.g. an acyl intermediate was formed that was subsequently
hydrolyzed. Here we had to reduce the soaking times to below 30 minutes,
otherwise we would see nothing, e.g. the large excess of
Hi all,
I use XDS to process a data set. When I checked the log files I found a warning
message at the end of IDXREF (as below). What should I do next? How to judge
which solution is correct?
!!! WARNING !!! SOLUTION MAY NOT BE UNIQUE.
OTHER POSSIBLE SOLUTIONS CAN BE TRIED IN THE CORRECT STEP
Nothing to get worried about. It means that other, equally valid choices of
axes may be possible (e.g. with polar space groups). Only if you want to merge
data from different crystals or if you want to scale native and derivative
data, you have to make sure that the same choice of axes is being
For free:
After 16 years of service our home source is retiring. It is an FR591 Rotating
anode generator. The anode motor needs replacement (estimated cost 4-5000 €)
but otherwise the generator is functional. The generator can be picked up for
free.
Not for free:
In 2005 the generator was
Dear all
Please note that a Postdoctoral Fellowship is immediately available to join
the
BM14 MAD MX beamline team at the ESRF, Grenoble, France (www.bm14.eu).
Context:
EMBL Grenoble operates the ESRF BM14 beamline under a Memorandum of
Understanding with the Department of Biotechnology (DBT)
Dear SAXS and crystallography communities,
it is our pleasure to announce a new web server for the calculation and fitting
of SAXS/WAXS curves of biomolecules in solution.
WAXSiS (WAXS in Solvent) computes SAXS/WAXS curves based on explicit-solvent
all-atom molecular dynamics simulations.
The
Jacob Keller
There is a service that will hopefully do the calculation you want,
search for a template of
residues (eg. catalytic-triads). This is just a through space
superposition of atoms.
It is part of a tool set of fragments found by knowledge based analysis
(pdbetemplate)
I've tried to post my reply to this quite a few times but as best I can
tell (and my friends can tell from their CCP4bb subscriptions) I have been
foiled by jiscmail every time. Hopefully this will go through. And
hopefully I'm not reposting stuff I already sent. Here we go:
Okay, the consensus
Hi everyone,
I have two questions:
1- I was trying to run the program Acorn, on a SAD dataset (Se derivative)
that was scaled in scalepack/HKL2000. converted to .mtz using
scalepack2mtz, then edited in REVISE and Ecalc. But when I ran Acorn it
gives me the error message Segmentation fault.
Does
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