Re: [ccp4bb] Comparing two datasets

2022-07-25 Thread 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 datase

Re: [ccp4bb] Comparing two datasets

2022-07-25 Thread 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 Sortm

Re: [ccp4bb] Comparing two datasets

2022-07-25 Thread 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

[ccp4bb] Comparing two datasets

2022-07-25 Thread 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 fi

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

2022-07-25 Thread 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 detai

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

2022-07-25 Thread 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 inh