Dear all,
Is there a program, which will shift the origin of a set of mtz
map-coefficients by means of a fractional coordinate vector R?
Thanks,
-Martin
--
Martin Laurberg, PhD
Noller Laboratory
225 Sinsheimer Laboratories
University of California at Santa Cruz
CA-95064 Santa Cruz
USA
Hi,
James Whittle wrote:
Hi-
There seems to be a problem enabling stereo with coot on RHEL 5, which
results in the error:
CATASTROPHIC ERROR:: in gl_extras no GtkGL widget!
WARNING:: switch to hardware_stereo_mode failed
I've found mention of this through a google search, but no solution. Has
Dear all,
I was refining a structure with a modified DNA base, and I generated a cif
file for that base using Dundee server with previously solved coordinates of
this base. However, when I refine with Refmac, the base has distorted angles
and bonds. I wonder how I can edit the cif file and restrai
Could be a case of modeler bias. Just look at the name of the
institute. This is like having a Jessie Helms endowed chair in the
therapeutic benefits of tobacco.
On Aug 8, 2008, at 8:31 AM, Jacob Keller wrote:
Dear crystallographers,
although many laughed off one CCP4BB poster's comments
Hi-
There seems to be a problem enabling stereo with coot on RHEL 5, which
results in the error:
CATASTROPHIC ERROR:: in gl_extras no GtkGL widget!
WARNING:: switch to hardware_stereo_mode failed
I've found mention of this through a google search, but no solution. Has
anyone encountered this and
The way I look at it; BSA the the total surface area defined within two
bisecting 3D curves, interface area is the minimum surface area that
can be that can be produced by interpolation between regions at bisect
each other. Probably not the best definition.
On a side note: can one really use th
Dear,
Sorry for the off-topic question.
I'm facing a (probably) merohedral twinning problem, regarding a small
molecule.
Using Xprep, I get a Hexagonal P-lattice with cell:
18.014 18.014 22.048 90.00 90.00 120.00
Mean |E*E-1| = 0.902 [expected .968 centrosym and .736 non-centrosym]
Dear crystallographers,
although many laughed off one CCP4BB poster's comments several months ago as
an April fools' trick (he had proposed that Bijvoet had actually botched the
job, as I remember), there is now apparently experimental evidence against
that trick:
"Was Bijvoet right? Sodium
Phil,
I had a follow up conversation regarding this very topic. Here is an
excerpt:
The following is from Chothia and Janin (1975) Nature, 256:705-708,
one of the early articles regarding buried surface area and protein
interfaces:
"The surface area buried in the complex is then defined a
Which brings up something about PISA. If I run PISA on pdb entry 2IE3,
which I'm familiar with, I get the following numbers from PISA and
CCP4's AREAIMOL (surface areas in Angstrom^2) for the A:C interface.
>> PISA for 2IE3
Automatic A:C interface selection 907.9
(a crystal pa
Hi Mitch,
When i checked carefully again log files. I came to know that, when i used
xdsconv then only the total completeness have been changed from 95% to 100%.
Before xdsconv all log-files have original 95%.
Now what should i do??
thanks,
yusuf
Quoting "Miller, Mitchell D." <[EMAIL PROTECTE
Hi Yusuf,
You need to run the uniqueify script to expand the input
file to include all possible reflections (observed and missing
from your data set). I have not run xdsconv with the
GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05
However, generally after running xdsconv without that command,
it is
Dear Mitch,
I did not run uniqueify but i have added free-R flags by running xdsconv with
extra command line in in-put file
GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05
Dear Leo,
This 94.5% is total completeness of the data.
I am pasting below the header information in that PDB file.
REMARK 3
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