Bryan,
I think it would be more correct to say that the orientation matrix file
applies to the Bravais type (e.g., hP--hexagonal primitive). Within the
Bravais type you can substitute a different space group prior to integration.
Nick
From: "Bryan W. Lepore" <[EMAIL PROTECTED]>
> does the m
Das, Debanu wrote:
Hi,
There are at least 4 methods to try to estimate amount of detergent in a membrane protein crystal
.
In summary, someone wanting to estimate amount of detergent in their
crystals and have sufficiently large and numerous crystals, could try out
any of t
Hi,
There are at least 4 methods to try to estimate amount of detergent in a
membrane protein crystal which may lead to a more accurate estimation of asu
content, etc. At the minimum, this may serve academic curiosity. At the best,
if one obtains membrane protein crystals that do not diffract
I would like to thank Michael Caravito and Gert Van den Berg for
taking the time to share their knowledge and insights on
protein-detergent/micelle complexes.
A series of experiments I carried out using DLS some time ago showed
that the protein-detergent/micelle complex (with LDAO as detergen
does the mosflm orientation matrix specify the crystal system and only the
crystal system?
i.e, given an orientation matrix from autoindexing, it would be correct to
simply use keyword 'SYMMETRY SPACEGROUP' in mosflm to refine then
integrate in any of the spacegroups within a given crystal sys
Hi Phil,
Just in case anyone was used to the old default behaviour (and like to use the
current version of Arp/wArp ;oD) could you ensure that there is an option which
will allow the automatic reindexing to the old default setting?
Thanks,
Graeme
From: CC
CALL FOR PROPOSALS FOR ESRF BEAMTIME WITH ONLINE MICROSPEC
There will be beamtime available from **15th to 18th November 2007**
inclusive at the ESRF for MX data collection with a setup that allows
online monitoring of UV/VIS spectral changes of the crystal during the
X-ray diffraction experim
OK I'll try to change the default behaviour, after I've fixed the
current round of bugs!
Sometimes reindexing is required from the Mosflm indexing even
without a reference set, if the Laue group assignment is wrong, or
where there is pseudo lattice symmetry (eg we have a case which is
rea
Posted for my post-doc...for some reason her subscription is slow in
starting...any off-line replies should go to [EMAIL PROTECTED]
Dear Coot users out there,
I am a new coot user and have tried many methods to save changes
while rebuilding, short of "save coordinates".
The manual says th
Phil,
It also affects centred monoclinic: to avoid some cases of beta > 120
you have to use the I121 setting instead of C121 (and it is a
conventional setting, see IT vol. A pp.126-7). For example the
conventional (but non-standard) I121 setting: a=50 b=60 c=51 beta=90.2
would I think be re-index
Phil,
For the record, the program XPREP - widely used by small molecule
crystallographers but also useful for macromoleculess - always
makes the conventional cell (in this example P 21 21 2) the default
(i.e. what you get if you always hit ), and writes out new
.hkl and .ins files in this sett
Hi Vineet,
I am not sure that you are defining things as expected in the CNS
documentation. If you haven't
already, please read the CNS FAQ page with description of how to define and
include alternate
side-chains for refinement.
In any case, I summarise the steps for you-
1. Run generate.inp wi
I think this is only a problem in the primitive orthorhombic system
(at least I assume people don't want hexagonal axes along a, A & B
centred lattices etc, although there is no reason in principle why not).
Following some earlier discussions with Ian, Pointless now honours
(and preserves)
Saavas and Tommi,
The questions of what is the detergent content of a membrane protein
crystal and how to explicitly determine the amount of detergent in a
crystal are extremely difficult to address. Moreover, is it
worthwhile to even attempt to correct the Matthews coefficient? I
perso
Hi Graeme,
I suppose you refer to the poster that was presented by Annette Faust,
Andrea Schmidt, Victor Lamzin and Manfred Weiss from EMBL Hamburg with
the title:
Lysozyme crystals - ready to use.
In this poster they present crosslinking of lysozyme crystals with
styrene and/or glutaraldehyde a
Dirk Kostrewa schrieb:
Dear colleagues,
although not a CCP4 question, does anyone has a CNS setup file for bash
users, analogous to the "cns_setup_env" file for (t)csh users?
Best regards,
Dirk Kostrewa.
Hi Dirk,
I find in $CNS_SOLVE (as distributed with CNS 1.2) both a cns_solve_env
(f
Dear colleagues,
although not a CCP4 question, does anyone has a CNS setup file for
bash users, analogous to the "cns_setup_env" file for (t)csh users?
Best regards,
Dirk Kostrewa.
***
Dirk Kostrewa
Gene Center, A 5.07
Ludwig-Maximilians-U
Well - PDBSET gives you the X Y and Z dimensions. (
pdbset xyzin thismol.pdb
end
If you want to align the protein along its principal axes, I usually run
the TABLING function of Amore. That takes a model, moves its CofM to the
origin and aligns it in such a way.
Eleanor
Vineet Gaur wrote
You havent got an incorrect CISPEP definition lurking in the PDB file
have you - COOT does NOT correct these so if you rebuild something which
has been previously flagges as CISPEP ( and that can happen if a very
ugly omega angle falls to 89.999 ) then it stays that way in the PDB
output from C
Hi all
Sorry for a non CCP4 question.
I m using CNS for structure refinement. The structure is having few residues
in alternate confirmations. i can see the density for those alternate
confirmations. i m defining those alternate confirmations in the pdb but
while generating the topology file, the
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