Hi Mike,
you can get the I/sigma(I) value by dividing the average I by the
average total error that can be found in the last table in the
scalepack log-file. Please note, however, that this is not the same as
I/sigma(I) .
Best regards,
Dirk.
Am 09.07.2008 um 01:29 schrieb Michael
An easy way is to start XPREP, then give the name of the .sca file
when prompted for a datafile, and hit Enter several times until the
table of statistics appears.
George
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen,
Dear all,
after re-indexing a dataset I had to re-orient my coordinates accordingly. The
model contains some 24 TLS-tensors.
Now my question is how to apply the rotation matrix also to the TLS-tensors.
What is the mathematical operation and is there a program that can do the job
for me?
Thanks,
Hi Clemens
It's complicated. If you unpack this bzip2/tar file it contains
's50.html' and some gifs showing the relevant equations.
Good luck!
-- Ian
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of Clemens Grimm
Sent: 09 July 2008 10:45
To:
I would run the TLS again!
Eleanor
Clemens Grimm wrote:
Dear all,
after re-indexing a dataset I had to re-orient my coordinates accordingly. The
model contains some 24 TLS-tensors.
Now my question is how to apply the rotation matrix also to the TLS-tensors.
What is the mathematical
this was a difficult case due to poor convergence behaviour during the TLS
refinement. At the moment I'm not sure what would be more complicated,
re-creating the tensors from scratch or writing a script.
What about TLSANL? Is there an (undocumented ?) feature that could be used for
things like
Hi Clemens
The relevant matrix algebra is all there in TLSANL, i.e. you could put
some code together based on that to do what you want, however there
isn't an option (even an undocumented one!) to do exactly what you want
and I don't know of any program which will do that. The math isn't
Dear colleagues,
A postdoctoral position in Structure, function and dynamics of
bacterial systems involved in sensing and adaptation to redox stress
is available at Lund University. The project is a collaboration
between the groups of Dr. Claes von Wachenfeldt at the Dept. of Cell
and
That being said, in-line SEC-DLS-SLS etc is a much more powerful
technique, but is less straight-forward, has a larger footprint and as
has been mentioned, less-inexpensive.
Having an online SLS (or MALLS as people call it as well these days,
multi angle laser light scattering ) is indeed
Clemens,
One thing I should have pointed out, though you may have realised it
already: you will most likely want to keep the same relative origins for
the new TLS groups so this means that the translational component of the
transformation (vector p or matrix P) will always be zero. This is true
Hi all,
We have a protein with high pI and we can only dissolve it at pH 10.2. Is
this a reasonable pH to work with? Should we try to bind something to it to
decrease the pH we are working with? We would appreciate all suggestions.
Mike Colaneri
Hi all,
We have a protein with high pI and we can only dissolve it at pH 10.2. Is
this a reasonable pH to work with? Should we try to bind something to it to
decrease the pH we are working with? We would appreciate all suggestions.
Mike Colaneri
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