Colleagues,
Like many of you, we are concerned over the recent upheaval surrounding travel
to and from the United States.The ACA is committed to hosting an annual meeting
that brings together a diverse community of scientists, no matter what their
country of origin. Our mission includes diversi
Dear All
another update to the 7.0 series. This contains
* pointless
- Don't use alternative reindex operators which will fail cell tolerance test
later. Make the just-reindex C2->I2 conversion more robust.
* pisa
- Fixed a bug, which could cause disulphide bonds missing in PISA analysis
Dear all,
I would like to bring to your attention that our Biochemistry department
has posted an ad for recruiting an Assistant or Associate Professor
for teaching in our department (previous experience
in teaching undergraduate biochemistry, with expertise in
enzymology and/or metabolism required
Hi Tommi,
Polder map allows you exclude selected region from bulk-solvent filling
Acta Cryst. (2017). D73, 148-157
This explains how to calculate it:
https://www.youtube.com/watch?v=TcTuMJayh5c
Pavel
On Fri, Feb 10, 2017 at 1:37 AM, Kajander, Tommi A <
tommi.kajan...@helsinki.fi> wrote:
> Hi
Dear All,
Please see below for details of several positions currently being advertised
here at the University of Manchester.
Many thanks,
Colin
Research Associate, Structural Biology / Enzymology (3 posts)
Closing Date : 13/03/2017
Employment Type : Fixed Term
Duration : 2 x 35 months plus 1 x
Dear Tommi,
On Fri, Feb 10, 2017 at 10:59:52AM +, Kajander, Tommi A wrote:
> Dear Eleanor, I will try that, just wondering if excluding solvent masking
> completely doenst have detrimental effect on
> the overall quality of the map?
You might want to look into using the so-called "missing at
Dear Eleanor,
Yes, thanks for pointing it out - i will give it a shot absolutely and see how
it works - still curious about making a mask for map calculation though…:)
Best,
Tommi
On Feb 10, 2017, at 1:30 PM, Eleanor Dodson
mailto:eleanor.dod...@york.ac.uk>> wrote:
Well - in my experience
Well - in my experience it gives much clearer density for missing features..
E
On 10 February 2017 at 10:59, Kajander, Tommi A
wrote:
> Dear Eleanor, I will try that, just wondering if excluding solvent masking
> completely doenst have detrimental effect on
> the overall quality of the map?
>
>
Dear Eleanor, I will try that, just wondering if excluding solvent masking
completely doenst have detrimental effect on
the overall quality of the map?
Tommi
On Feb 10, 2017, at 12:43 PM, Eleanor Dodson
mailto:eleanor.dod...@york.ac.uk>> wrote:
Certainly if you are using REFMAC with an in
Python friendly libraries like Boost (http://www.boost.org/) can probably take
on much of the hard work for you.
--
Dr. Robert Esnouf,
University Research Lecturer,
Head of Research Computing Core,
NDM Research Computing Strategy Officer
Room 10/028, Wellcome Trust Centre for Human Genetics,
O
Certainly if you are using REFMAC with an incomplete model you should
specify
SCALE TYPE BULK
SOLVENT NO
Otherwise it assumes any density outside the given model is to be
effectively screened out..
Eleanor
On 10 February 2017 at 09:37, Kajander, Tommi A
wrote:
> Hi All,
>
> Was there a conv
Hi All,
Was there a convenient way to make a solvent mask for a region with a model -
its been a while - and use that to generate maps
(i have a domain that is only partially visible, could not be found be
molecular replacement), its there though.
Could be that its not well ordered, but I was
As far as I know, OpenMP only works with C, C++ and Fortran.
In addition to Phaser, there are a few other crystallographic programs
I know are using OpenMP: XDS (Fortran), CCP4mg (surface calculations
in C++), Privateer (C++), Sharp...
Other programs may take advantage of multithreading themselve
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