Dear All,
DIALS 1.5.1 for synchrotron data has been released - full release notes at
https://github.com/dials/dials/releases/tag/v1.5.0
The software may be downloaded from
http://dials.github.io/installation.html
http://dials.diamond.ac.uk/installation.html
http://dials.lbl.gov/installation.htm
Dear All,
Do you have any suggestions on how to fix the very slow performance of
Refmac included in the CCP4 7.0 (with all updates). On the same machine,
the job takes less than half of the time (often a third) if it is run from
under CCP4 6.5 (Refmac ver. 5.8.0103). We tested desktops/laptops on
As part of the “HONOURS” ITN EU network, there are 15 early stage researcher
(studying for a PhD) positions available in Belgium, Germany, the Netherlands,
Spain, Switzerland and the United Kingdom.
See details below, and specific details of those hosted at the University of
Leeds.
Ed
Early
I suspect most (if not all) refinement software now have a nice way to deal
with NCS in refinement locally. Technically, this means you can use NCS
restraints at any resolution and software should be able to be careful and
not wipe out local differences between NCS copies. In phenix.refine this is
Dear all,
On Mon, Apr 24, 2017 at 08:15:57AM +, Bert Van-Den-Berg wrote:
> Not quite sure what you mean but I suppose you refined with NCS
> restraints and the red bar means that your chains in those regions
> are not identical. I would turn NCS restraints off during
> refinement, with your re
Not quite sure what you mean but I suppose you refined with NCS restraints and
the red bar means that your chains in those regions are not identical. I would
turn NCS restraints off during refinement, with your resolution there is no
real good reason to include them. You probably have to do some
Hi Schreuder,
Thank you for your suggestion.
As per the electron density, the conformation is very obvious. So I think
whatever NCS outliers are there in structure, are real ones.
Thanking you all,
On 24-Apr-2017 1:29 PM, wrote:
> Dear Vipul,
>
>
>
> At this resolution and with these Rfactors
I am not from any structure biology related group. So I have followed
literatures for the structure solution and analysis. At this level all
stereochemical and geometry looks good. The only parameter I could see with
some red bar was NCS difference.
*Through literature, I couldn't understand if so
Dear Vipul,
At this resolution and with these Rfactors you are not supposed to „correct“
the NCS outliers. Look into the electron density maps if they are well defined
and if the different conformations can be explained by e.g. crystal contacts.
However, if they are in a less well-defined regio
Minimizing a red bar may be tricky.. Have you tried to make it less red
(blue or may be green)? Otherwise Rw/Rf~20/25 is just fine at 2.2A
resolution. What exactly your worry is about?
Pavel
On Mon, Apr 24, 2017 at 12:48 AM, Vipul Panchal
wrote:
> Hi all,
>
> I am solving structure of one of the
Hi all,
I am solving structure of one of the acyltransferse protein. We have
collected data at 2.16A resolution. Currently the Rfree is 0.2508 and Rwork
is 0.2042.
*My query is regarding NCS difference.* Under validation tool of coot while
looking for NCS differene, i can find some residues with
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