Re: [ccp4bb] Ice ring data issue

2021-03-05 Thread Paul Emsley
It might just be possible that background modelling of diffraction data in the presence of ice rings is better done in more modern software. Paul. On 06/03/2021 00:10, Edward A. Berry wrote: (Obviously this is for culling the bad data after data reduction is complete- doesn't do anything to p

Re: [ccp4bb] Ice ring data issue

2021-03-05 Thread Edward A. Berry
(Obviously this is for culling the bad data after data reduction is complete- doesn't do anything to prevent the ice ring from introducing error in the scaling process. Not really what you were asking for, and maybe not even useful now, given automatic outlier rejection in today's programs) On

Re: [ccp4bb] [EXTERNAL] [ccp4bb] Ice ring data issue

2021-03-05 Thread Edward A. Berry
For manually masking out the rings, you can use mtz2various to dump reflections in resolution ranges without ice in ascii, cat them all together and use f2mtz to read them into a new mtz file. Example attached. You might also be able to do it using mtzutils to write out mtz files in limited re

Re: [ccp4bb] Pymol Map range

2021-03-05 Thread Edward A. Berry
On 03/04/2021 10:42 AM, Gerard DVD Kleywegt wrote: If there is interest I could post a tgz file with -as far as I can determine- the latest version of all manuals in HTML format (0.8 MB total).) Yes, I would like to grab a copy of the manuals. Ed ###

[ccp4bb] Postdoc Position at Fox Chase Cancer Center, Philadelphia

2021-03-05 Thread J Wu
A postdoctoral fellow position is available at the Molecular Therapeutic Program Fox Chase Cancer Center (Philadelphia, PA) for a highly-motivated individual in the field of structural biology and molecular biology. The main focus of the lab is to elucidate the molecular mechanisms underlying

[ccp4bb] Help EMBL-EBI maintain its services: articulating the value of open data

2021-03-05 Thread Gerard DVD Kleywegt
Dear colleagues, As a community of structural molecular (and, increasingly, cellular) biologists we are fortunate to have a large collection of well-established, well-managed and open data resources at our disposal. (Physicists are often impressed when they learn that a protein structure depos

Re: [ccp4bb] post-doc position at KU Leuven, ligand-gated ion channels

2021-03-05 Thread Chris Ulens
This is a reminder for interested candidates to apply for the vacant position below. Thank you and best regards Chris > On 5 Jan 2021, at 17:33, Chris Ulens wrote: > > A post-doctoral position is available at the Laboratory of Prof. Chris Ulens, > KU Leuven, Belgium (http://www.xtal.be