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Hi Pavel,
surely technically you are right. Practically I would like to see the
face when you next hand over a set of structure factors to a
pharmaceutist or biologist with the words "please go ahead, design
your drug" ;-)
Best,
Tim
On 05/21/2014 04
Dear all,
A HERCULES special course on non-crystallographic X-ray and neutron
scattering techniques for structural biology is organised by the ESRF,
ILL and EMBL-Grenoble from the 14th to the 19th of September.
Dead line for registration: 1st of June.
Objective of the course: This HERCULES S
Dear colleagues,
I am in the process of refining a P2(1) structure that is marked by Scala as
twinned (L-test etc.) with a twinning fraction of ca. 0.2. I am still working
on the twinning problem, so no more details about this. But what puzzles me
right now is that, if I feed the data with a m
Dear Uli,
It seems that you are dealing with psued-twinning when cell do not overlap
after rotation with twin operator. In these case what is in one resolution on
one of the orientation becomes another resolution in another orientation of
crystals
In short:. You have an operator R that relates
Dear Garib,
thanks for the clarification. I'll go back to the raw data and check for split
spots at high resolution (and give Mosflm a try; initially, the data were
integrated with XDS).
Cheers,
Uli
---
dr ulrich gohlke
Dear CCP4bb,
Does anyone know a simple way to get rid of residue number insertion codes and
then renumber residues normally in pdb files?
Help much appreciated,
David
David Hargreaves
Associate Principal Scientist
_
AstraZene
Hi David
Doesn't CCP4 -> PDBSET -> RENUMBER do that?
Cheers
-- Ian
On 22 May 2014 17:34, Hargreaves, David wrote:
> Dear CCP4bb,
>
>
>
> Does anyone know a simple way to get rid of residue number insertion codes
> and then renumber residues normally in pdb files?
>
>
>
> Help much appreciat
Dear David,
mrtailor-gui
(http://shelx.uni-ac.gwdg.de/~tg/research/programs/mrtailor/) might do
this if you have the sequence file in clustalx format, although I have
not tested mrtailor w.r.t. insertion code due to lack of an example. If
you cannot get it to work, I would not mind to use your PDB
Dear all
I am working with a membrane protein without known structure. The closest
protein in PDB has 10% sequence identity/25% similarity to my protein.
What is the best method and software to do homology modeling while I try to get
the crystal? Is the ligand binding site prediction reliable?
Hi Theresa,
I tackled a similar problem recently using modeller (Andrej Sali) which worked
well. In the case of my transporter (or any model) your homology model will
only be as good as the starting structure (resolution etc) and your sequence
identity. I found that the homologues that I was lo
Hi all,
Sorry to be a bother, I am having an issue with using sharp/autosharp through
CCP4 Mac app. I have all the latest software for everything and successfully
installed both the ccp4 and sharp (as well as ArpWarp and shelx through ccp4).
My issue is i must set these variables in a terminal:
One possible outcome is: (a) if the two proteins bind similar ligands and (b)
you know which part of the xray structure of the solved protein is binding the
ligand and (c) you can use this information to tweak the alignment and
determine that there is higher identity/similarity in the ligand bin
The MAX IV facility, the largest and most ambitious Swedish investment in
research infrastructure, will be the brightest source of x-rays worldwide and
will replace the existing laboratory, which today consists of the storage rings
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