Dear all,
I want to CALL CCPFYP in my fortran script, but after compile, the binary file
can not be run (macOS Sierra Version 10.12.4).
E.G.
1. :
PROGRAM example_MTZ
CALL CCPFYP
stop
end
2. gfortran-5 -O2 -o test test.f -L${CLIB} -lccp4f -lccp4c -lmmdb2 -lstdc++
That's more like a tutorial for XDS :P (thanks though)
The problems:
1) It uses autorickshaw (which is a black box ...guess I'll read the paper
today) ...
and
2) my files were not recognized (MTZ with proper labels ...even the
XDS_ASCII.HKL files ).
Is it working? Guess I'll try to contact the
Note, Molprobity has an option to use longer (neutron) X-H distances.
Pavel
On Fri, Apr 28, 2017 at 11:46 AM, Tristan Croll wrote:
> I believe the reason for the discrepancy here is that MolProbity by
> default places the hydrogens according to the centroid of the electron
>
I believe the reason for the discrepancy here is that MolProbity by default
places the hydrogens according to the centroid of the electron cloud (most
relevant to x-ray crystallographic data) rather than the nuclear position. In a
polar bond like N-H the difference can be quite substantial.
Dear Fellows of the Bond,
when validating a QM refined homology model with Molprobity, I noticed
various 8 sigma deviations in the carbon-hydrogen bond distances.
Out of curiosity, I then used refmac to calculate riding Hs for the same
model, and at least in one instance (N-H backbone) there
There was a tutorial for MX including UV RIP available from the HZB in
Berlin (BESSY MX group). Have a look at there website. I'm sure it is
still available, or maybe they can send you the files on request.
Cheers
Christian
Am 28.04.2017 um 17:12 schrieb Murpholino Peligro:
Hi lads...
Do
Hi lads...
Do you know if there is a good tutorial for doing RIP somewhere on the
internet?
What programs can do RIP?
-SHELX
-AutoRickShaw
-?
Thanks
Dear all,
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Postdoctoral Fellow Position
Parashar laboratory at Rutgers School of Dental Medicine iscurrently seeking a
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Qualifications:
- Ph.D. in
Dear Praveen,
I always siliconize my cover slips before using them for crystallization.
Recipe is very simple. But make sure that you always use mask, gloves and
perform your experiment under a fume hood.
1. 95% toluene + 5% dichloromethylsilane will give you a very good
siliconization
To add additional expertise and capacity to our drug discovery service team in
Munich-Martinsried, we are immediately looking for a Senior Research Scientist,
PhD in Protein Crystallography.
Protein Crystallographer
As a Senior Research Scientist, you will support our team with
anyone tried rainex (if it's still on sale)? for us it works 1000x better than
anything else: rugged, extremely water repellent, and cheap (one bottle lasts a
lifetime). in the '90s at least you could get it in auto stores in the USA.
cheers
jon
Von: CCP4 bulletin board
To me this begs the question: why do this at all? A cost issue?
The Hampton coverslips work pretty well even with detergents that drastically
lower surface tension like C8E4. Those of a UK competitor that i shall not name
are not as good, in our humble experience.
Bert
Ahh, this brings back memories of a former life, preparing hydrophobic
coverslips for my surface chemistry experiments. I used chlorotrimethylsilane,
and what I remember best is that the secret to a good coating is making sure
your coverslips are utterly clean and dry. I used to clean them by
Hi Praveen,
20 years ago I seemed to spend more time siliconising cover slips than setting
up the Magic 50. We had special jigs to hold a couple of dozen slips for
washing, drying and finally immersion in silane solution. This method was very,
very tedious. An alternative method was to pull a
Abhishek
The fun thing to do in these circumstances is to move the detector a known
distance and see how much a point on the shadow expands (or contracts) from the
centre of the detector. One can then ray trace (a simple diagram) to find the
position of the object creating the shadow. In your
Dear All
Post-doctoral research fellows: Lipid -mediated immunity
MONASH UNIVERSITY
Infection and Immunity Program, Biomedicine Discovery Institute
Faculty of Medicine, Nursing and Health Sciences
Prof. Jamie Rossjohn FAA FLSW, ARC Australian Laureate Fellow & Head, Infection
and Immunity
Provided your protein is >90 pure as per 15% SDS-PAGE analysis, you should
try seeding.
On 28-Apr-2017 12:43 PM, "李霞" wrote:
Dear all:
My protein is a demethylase,has failed to obtain protein crystals,then
adopt the method of in situ enzyme and get protein crystals,but the
Dear all:
My protein is a demethylase,has failed to obtain protein crystals,then adopt
the method of in situ enzyme and get protein crystals,but the crystal is still
very very small,how to optimize can get diffraction crystal,please?
Best
X. L
Dear Abishek,
shadows should be excluded from processing since the outlier rejection
algorithms cannot distinguish between weak and shadowed reflections!
In XDS, you could use a generous static mask (UNTRUSTED_*), or a dynamic mask
as specified by FILTER.HKL.
HTH,
Kay
On Thu, 27 Apr 2017
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