Dear all,
I have been trying to search for some softwares/applications that can
display the crystal space group "lattice" based on the input of cell
dimension and space group. Ideally, it can also apply the arbitrary
symmetry operation to a molecule with given orientation and position in the
unit
The Chook Lab (http://www4.utsouthwestern.edu/chooklab/index.htm and
http://profiles.utsouthwestern.edu/profile/53719/yuh-min-chook.html) in the
Departments of Pharmacology and Biophysics at UT Southwestern seeks a
postdoctoral fellow who is both a trained crystallographer and an excellent
bioc
Dear Sergei,
Many have already given good advice. A somewhat different approach:
You might want to consider using a NAS for user file and program storage. We
have run a group of Linux PCs for years that way and we are quite pleased with
it. The NAS would take the place of your file server PC.
Hi Kay,
Thank you and Andrew very much.
The paper you cited is really helpful!
Dear All,
We are seeking a highly motivated researcher, preferably a fresh PhD
graduate, for a postdoctoral position in the area of in silico
ligand-based drug design
(http://www.embl-hamburg.de/training/postdocs/08-eipod/application/04_2013_project_ideas/lamzin.pdf).
The position is withi
Many thanks for the reply.
Unless I have not RTFM properly, cphasematch only modifies one column of
phases at a time, and outputs the modified phases to a new column. It also
doesn't appear to take a reference PDB (corresponding to the reference mtz)
as a means to calculate the appropriate rot/tra
I was hoping to avoid this discussion ...
It is true that if the server dies, you loose your data. But for
crystallographic calculations, this is true for "async" as well as for "sync".
Just repeat the calculation if it dies midway - it's as simple as that. This is
probably very different for ai
At high load levels "async" is a dangerous option. What it means is that when
an NFS client has copied its data to the NFS server (i.e. memory, not disk) it
accepts the acknowledgment and carries on assuming the data have been
committed. The "sync" option means that the acknowledgment is not sen
We don't have any performance/ reliability issues with our cheapskate setup
either.
Make sure the network is wired with Cat5e or Cat6 cables, especially if
distances are 8m+
Dmitry
On 2013-07-31, at 7:36 AM, Kay Diederichs wrote:
> I have a very different experience with NFS: we are us
Hi,
What I meant is that the solution that showed the TFZ-equivalent score for the
second component should have been the one with the highest LLG after adding the
second component, and it wasn't in your example. That's why I thought you must
have made it up.
Randy
On 31 Jul 2013, at 12:30, C
We have a very similar setup, and I can only second Kay's experience.
Best regards,
Dirk.
Am 31.07.13 13:36, schrieb Kay Diederichs:
I have a very different experience with NFS: we are using Gigabit Ethernet, and
a 64bit RHEL6 clone with ECC memory as a file server; it has RAID1 ext4 home
d
I have a very different experience with NFS: we are using Gigabit Ethernet, and
a 64bit RHEL6 clone with ECC memory as a file server; it has RAID1 ext4 home
directories and RAID6 ext4 for synchrotron data. We have had zero performance
or reliability problems with this in a computer lab with ~ 10
Dear Prof. Read,
Thank you for your detailed explaination. I think now I am clear about what
each set of scores represent. But what do you mean by what the .sol should
show? I did "make it up" by selecting two solutions sets from two different
runs, and I am sorry for not making it clear at the be
cphasematch should do the job. I presume you did a structure factor
calculation for one or both models?
I'm not clear what the problem is with that. Is it that it is giving you
the wrong shift?
On 30 July 2013 14:33, Mo Wong wrote:
> Hi all,
>
> I am trying to get multiple molecular replacemen
Dear Chen,
For each component that is placed, Phaser reports the Z-scores for the rotation
function (RFZ) and translation function (TFZ), along with the number of packing
clashes (PAK) at this point and the LLG. For the top solution at that point in
the search, Phaser also reports the TFZ-equi
Hi,
I completely agree with what Andrew writes. It's very easy: negative CORR means
that the reflection profile after background subtraction has a negative
correlation coefficient with the standard profile. How can this happen? Well,
this situation occurs when the reflection is very weak and th
Dear Rain,
I will let XDS expert users provide the definitive response
to this because I'm not certain what exactly a "negative peak profile
correlation" indicates. However, I would be very cautious about deleting
reflections simply to improve the reported statistics. Taken t
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