Dear Ivan,
On Tue, Jun 22, 2010 at 11:06:08AM -0700, xaravich ivan wrote:
> Hi all,
> How can I refine multiple ligands( metall ions and other organic molecules)
> and in the same structure? I guess Refmac automatically generates restraints
> for common metal ions, but how could I put multiple p
Congratulations to George!
Citations are an interesting sociopolitical phenomenon, particularly
when it comes to methods. Most people cite computer programs that they
used, but certainly not all of them, and almost never cite "laboratory
tricks". Case in point: one would think that T.-Y Teng
Dear structural biologists,
I'm sure some of you have been there before: you'd like to perform docking
experiments with your favorite crystal structure in your favorite cryoEM
map. Only problem is, the authors of the cryoEM study simply refuse to send
you their maps, and they're not available in
Ian
Thanks - I did get my terminology wrong and terminology IS important.
The merohedral is incorrect for this case but I then confused things
further.
My interest was really what happened in the observed diffraction
pattern. With the large difference in the orthorhombic cell dimensions,
the spot
Hi,
A few weeks ago, I have already cited renin as such an example. With two
slightly differerent molecules in the asu, certain inhibitors bind only to
one of them and the other renin molecule is empty.
Look at 2G24 for example in the PDB.
Molecule A is loaded, while B is empty. The difference in
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Hi all,
How can I refine multiple ligands( metall ions and other organic molecules)
and in the same structure? I guess Refmac automatically generates restraints
for common metal ions, but how could I put multiple pdbs and cif files of
molecules in my Refmac cycles other than just metal ions.
In my
Hi there,
I have ccp4 installed on my linux system, and I wonder whether I could
directly use the ccp4 commands (sigmaa, dm...) in my C/C++ code. I don't
need too advanced manipulation in ccp4 clipper, just the regular ccp4
commands. Thanks!
Hailiang
On Tue, Jun 22, 2010 at 4:32 PM, Colin Nave wrote:
> Secondly, the difference in the cell dimensions (b=123.92 and c=128.89A)
> appears to be quite large and should lead to split spots which (I think)
> corresponds to non merohedral twinning. Did you observe these but integrated
> them as one?
Th
Matheus
A couple of points
Firstly, isn't this pseudo merohedral rather than merohedral. I realise you
didn't mention either in your email but it is in the title of the previous
message.
Secondly, the difference in the cell dimensions (b=123.92 and c=128.89A)
appears to be quite large and shou
Dear All
there is an out of date version of the buccaneer pipeline in the binaries
versions of the suite that were download before 4pm on 22nd June 2010. This
will mean that the buccaneer-pipeline task will not behave as expected. A
tarball that will replace the out of date scripts is availab
Well, good luck to all the methods-folk who are up for tenure, here is
your chance guys and girls ... it will not last long!!!
Indeed.
http://community.thomsonreuters.com/t5/Citation-Impact-Center/What-does-it-mean-to-be-2-in-Impact/ba-p/11386
p.s. "methods-folk who are up for tenure"? - hah
Hi Clemens,
Refmac 5.5.0072 defaults to automatically adding waters to existing
TLS groups without telling you the TLS definition in the TLS header
or the log file. So you are looking at residual B's. You cannot
convert these to full TLS+residual B's using tlsanl since the details
of which water
Dear all,
Please, could you bring this advert to the attention of any potential
candidates?
We seek an enthusiastic student to apply for calls from funding agencies for a
3-year PhD position.
The PhD project focuses on the study of the structural and molecular
mechanisms underlying the repress
Hi Yang,
I had the experience to work with twinning in P212121space group. My crystals
belong to space group P212121with unit cell dimensions a=82.39, b=123.92 and
c=128.89A. You can see that"b" and "c" are not equal but very simmilar, and
this factcan allow twinning for this space group. The c
On behalf of the P-cube Management Team
Dear All,
To make sure you don't miss out on the P-CUBE meeting in Grenoble in September,
please sign up as soon as possible under*www.p-cube.eu*.
The registration deadline is June 30. 2010.
See you in Grenoble
P-CUBE Management Team
Dear all,
I have refined a 2.5 A structure (P212121, a=29, b=56, c=58) with
Refmac/TLS to an R/Rfree of 20.9/23.7. Everything seems to run
smoothly, maps look nice. Total B-facors for protein (residual+TLS)
after TLSANL are in the 25 to 50 A^2 range.
However, water B-factors are refined to
Dear all,
We are all used to the tyranny of impact factors: high impact
publication in "well esteemed" journals, as dictated by the Supreme
Authority - excuse me, I meant Thomson Reuters - often substitutes
the judgement of interview panels, grant review panels and sometimes
is a decisio
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