Re: [ccp4bb] Comparing two datasets

[Nicolas Foos]

Hi Mirek,

I am pretty sure XSCALE will do that for you : 
https://xds.mr.mpg.de/html_doc/xscale_program.html


If not, maybe have a look on SHELXC in SIR mode.

Hope this help.

Nicolas

On 25/07/2022 21:52, Cygler, Miroslaw wrote:

Hi,
I would like to calculate the R-merge for Fs from two datasets 
processed from two different crystals. Tried to use Blend but got the 
message that Blend requires R. Downloaded R but do not know how to 
tell CCP4 where it is located on my Mac. Is there another program that 
would take two mtg files and merge the Fs?

Any help would be greatly appreciated.
Mirek







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Re: [ccp4bb] Comparing two datasets

[Jon Cooper]

Hello, I looked thru the program list in ccp4i and Combat caught my eye. Seems 
you can input an MTZ file of amplitudes and output a multirecord MTZ, and you 
can specify a batch number. If you did the same for your second dataset with a 
different batch number you could then append them with Sortmtz and run Scala, 
Pointless, Aimless, etc, to get the usual stats.

If you scaled the F and sigF columns as Andrew suggested, Sftools has a MERGE 
or MERGE AVERAGE option which *might* work!!

Cheers, Jon.C.

Sent from ProtonMail mobile

 Original Message 
On 25 Jul 2022, 20:52, Cygler, Miroslaw wrote:

> Hi,
> I would like to calculate the R-merge for Fs from two datasets processed from 
> two different crystals. Tried to use Blend but got the message that Blend 
> requires R. Downloaded R but do not know how to tell CCP4 where it is located 
> on my Mac. Is there another program that would take two mtg files and merge 
> the Fs?
> Any help would be greatly appreciated.
>
> Mirek
>
> ---
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1



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Re: [ccp4bb] Comparing two datasets

[Andrew Leslie - MRC LMB]

I think that SCALEIT should be able to do this. This was originally designed to 
compare Fs for Native and heavy atom derivate data, but can compare any two 
similar datasets (ie those that can sensibly be scaled together). You will need 
to merge the two mtz files first.

Cheers,

Andrew

> On 25 Jul 2022, at 20:52, Cygler, Miroslaw  wrote:
> 
> Hi,
> I would like to calculate the R-merge for Fs from two datasets processed from 
> two different crystals. Tried to use Blend but got the message that Blend 
> requires R. Downloaded R but do not know how to tell CCP4 where it is located 
> on my Mac. Is there another program that would take two mtg files and merge 
> the Fs?
> Any help would be greatly appreciated. 
> 
> 
> Mirek
> 
> 
> 
> 
> 
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 
> 



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[ccp4bb] Comparing two datasets

[Cygler, Miroslaw]

Hi,
I would like to calculate the R-merge for Fs from two datasets processed from 
two different crystals. Tried to use Blend but got the message that Blend 
requires R. Downloaded R but do not know how to tell CCP4 where it is located 
on my Mac. Is there another program that would take two mtg files and merge the 
Fs?
Any help would be greatly appreciated.

Mirek







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[ccp4bb] Closing soon: Postdoc working on bacterial secretion systems, Imperial College, London

[Low, Harry H]

Dear all,
We are looking to recruit a postdoctoral research associate focusing on 
bacterial secretion systems (for example 
https://www.nature.com/articles/s41467-019-13301-3). Core techniques will 
include cryoEM SPA and tomography. The position is funded by the Wellcome Trust.

For further details please see 
https://www.imperial.ac.uk/jobs/description/MED03250/research-associate/ or 
contact Harry Low informally h@imperial.ac.uk. 
The lab webpage can be found at www.thelowlab.org.

The closing date for applications is 27th July 2022.

Regards,
Harry






__
Dr. Harry Low
Wellcome Trust Senior Research Fellow
Department of Infectious Disease
366 Sir Alexander Fleming Building
Imperial College
London, SW7 2AZ
+44 207 594 3064







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[ccp4bb] A postdoctoral and a PhD position funded by the Volkswagen Foundation in Wuerzburg

[Clemens Grimm]

The biochemistry department at the Biocenter of the University of Wuerzburg 
seeks to fill:

A postdoctoral and a PhD position funded by the Volkswagen Foundation.

The successful candidates will work on the structural elucidiation of poxviral 
transcription complexes and the rational design of inhibitors targeting the 
poxviral cytosolic transcription machinery.

Ideal PhD candidates should hold an excellent diploma or master degree in 
physics, biology, biochemistry, biophysics, or a related field of science.

Ideal PostDoc candidates should hold an excellent PhD in structural biology, 
biophysics, physics or in an equivalent area with previous experience in 
structural biology or protein biochemistry.

The positions offer the opportunity to be involved I a wide spectrum of current 
methods from recombinant DNA technology over protein biochemistry (protein 
purification and analytics of large viral complexes), in silico drug design, 
high throughput screening to single particle cryo EM. The latter method is a 
major focus of the group which has regular access to the 300 keV Titan 
Krios-TEM of the university.

The PhD position furthermore offers a structured educational program within the 
framework of the Graduate School of Life Sciences (GSLS).

Both positions include the possibility to transition through an industrial 
setting at Intana Bioscience GmbH (Martinsried), which is our cooperation 
partner for high throughput screening.

Interested candidates should contact directly:

Utz Fischer (utz.fisc...@uni-wuerzburg.de) or

Clemens Grimm (clemens.gr...@uni-wuerzburg.de)




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