>
> The current version of CCP4 does not contain mtzdump.
>
It surely does on my machine:
$ which mtzdump
/Applications/ccp4-6.5/bin/mtzdump
--
Dr Jon Agirre
York Structural Biology Laboratory / Department of Chemistry
University of York, Heslington, YO10 5DD, York, England
http://www.york.ac.u
Dear All,
The current version of CCP4 does not contain mtzdump. I use UCLA MBI — mtzdump
to process it. For a mtz file, the output says there was no valid reflection
data. For another mtz file, it only gave about 50 lines information (not a new
mtz file). As for the original mtz is very large,
I believe the literature consensus is not to detwin until R values get below
~40%, and if you're still doing DM, I assume the R's are still pretty poor. If
you've placed a model with MR, you could just put it into Refmac with
detwinning.
Also, I had pretty good success in a twinned structure re
Seeking Post-Doctoral candidates for my rapidly expanding laboratory
located in the University of Georgia's Department of Pharmaceutical &
Biomedical Sciences.
In this recently available positions, the individual will assist in my
ongoing NIH funded infectious disease related projects that involve
This should do it (if not please get back to me off-list with sending data
and model files):
Refinement settings -> Ligand linking , then Options->Link metals .
phenix.refine does not trust anything in PDB file header except CRYST1
records.
Pavel
On Fri, Mar 6, 2015 at 10:17 AM, Kgosisejo, Oara
This message is posted on behalf of my colleague Dr. Sangita Sinha:
A postdoctoral position starting immediately is available to conduct NMR
studies of proteins involved in autophagy. Specifically, various collaborative
projects are investigating the conformational flexibility and function of
Dear Oarabile M. Kgosisejo,
if you add distant restraints between the metal and the oxygens, the side chains
should not be pulled into the centre.
I think that refmac5 recognises the LINK records in the PDB file, e.g. with the
syntax
LINKZNZN A2666 SG CYS A 102 1
Dear CCP4 community,
Does anyone know if the F-obs-filtered array in the map file output by
phenix.refine from a twin refinement has detwinned Fs? Or if not how to obtain
these? We’re trying to set up a density modification run using data from a P41
dataset with twin fraction ~0.5 and two mol
Hi Ian,
Unix/Linux uses a single byte 0A (the linefeed character) as the line end
marker for text, while DOS/Win use two bytes 0D 0A (carriage return + line
feed). Old Mac systems use 0D. (what a mess!)
So a simple UNIX to DOS operation should expand every 0A in a file to 0D 0A:
perl -pe 's/\n
Dear All,
The microsymposium on Crystallization and Crystal Treatment will take
place at the the 29th European Crystallographic Meeting (ECM29), to be
held August 23-28 in Rovinj, Croatia. Topics concerning the production of
crystals
and techniques used in their manipulation are welcome.
Abstra
Hi, just for fun and to demonstrate what can go horribly wrong if you
blindly use utilities that were specifically designed for changing the line
terminators in an ASCII file, I applied these utilities to an MTZ file.
First I used 'todos' to simulate what I suspect the technician has done:
todos
On 03/06/2015 09:21 AM, Laurent Maveyraud wrote:
Dear all,
we are currently trying to pick up the trail of the PROMOTIF program
for which we can't find a link that works properly. Does anybody know
where I can find it ?
thanks for your help,
laurent
PROMOTIF seems to be an EBI product. Why don
Dear all,
we are currently trying to pick up the trail of the PROMOTIF program for
which we can't find a link that works properly. Does anybody know where
I can find it ?
thanks for your help,
laurent
--
--
Laurent Maveyraud laur
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