Re: [ccp4bb] PAD images

2015-04-28 Thread Hattne, Johan
We often use ImageJ for looking at electron diffraction images, and do indeed benefit from the plethora of tools it implements. The necessary tools to convert to and from formats that ImageJ understands are quite trivial, but we don’t have a plugin (yet?) nor have have played with anything

Re: [ccp4bb] Alexander Rich passed away Monday April 27, 2015

2015-04-28 Thread Rantidev Shukla
I am really sorry to hear this. May his soul rest in peace. Ranti Dev Shukla, Doctoral fellow, Structural Biology laboratory, Chonnam National University, Gwangju, South Korea. On Wed, Apr 29, 2015 at 7:32 AM, Ho,Shing shing...@colostate.edu wrote: It is with great sadness

[ccp4bb] Alexander Rich passed away Monday April 27, 2015

2015-04-28 Thread Ho,Shing
It is with great sadness to announce that Dr. Alexander Rich, Sedgwick Professor of Biophysics at MIT, passed away on Monday April 27, 2015 at Massachusetts General Hospital – he was 90. Alex, a member of the RNA tie club, contributed significantly to our understanding of RNA and DNA structure

Re: [ccp4bb] PAD images

2015-04-28 Thread Keller, Jacob
Has anybody tried imageJ/FIJI for looking at diffraction images? There are a vast amount of processing tools therein, and it could make some things really easy. I suspect one could look at the data by opening images as raw and then specifying the properties of the image in the resultant menu.

Re: [ccp4bb] Residue positional validation

2015-04-28 Thread Eleanor Dodson
Or use edstats in CCP4 - gives lots of statistics and a good evaluation of fit Eleanor On 27 April 2015 at 16:26, Gurusaran Manickam satnam...@gmail.com wrote: Dear Monica, We can also, perhaps, most helpfully quote from our forthcoming article in J Appl Cryst, Volume 48, Part 3 (June

Re: [ccp4bb] Residue positional validation

2015-04-28 Thread Boaz Shaanan
Would it not be a good idea to include EDSTATS in ccp4i? I couldn't find it there. Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel E-mail: bshaa...@bgu.ac.il Phone: 972-8-647-2220Skype: boaz.shaanan Fax: 972-8-647-2992

[ccp4bb] XDSCONV not using a keyword?

2015-04-28 Thread Nathan Pollock
I am trying to convert XDS file into something that CCP4 would recognize while keeping reflections unmerged. Hard to believe but it's not working: the keyword MERGE=FALSE is not recognized and the default TRUE is being used no matter what I do: * XDSCONV * (VERSION March 1, 2015

Re: [ccp4bb] Reading coords and maps in COOT for PDB entries in mmcif format

2015-04-28 Thread Eleanor Dodson
It is probably sensible to download the structure factors and run refmac. I don't really trust the deposited map coefficients eleanor On 28 April 2015 at 11:08, Takanori Nakane takanori.nak...@bs.s.u-tokyo.ac.jp wrote: Dear Andrew, This is not very CCP4-way, but you can use:

[ccp4bb] Scientist position -- Protein Crystallization at AbbVie, North Chicago

2015-04-28 Thread WEi WEi
*Scientist II, Structural Biology - Crystallization-150257* AbbVie (NYSE:ABBV) is a global, research-based biopharmaceutical company formed in 2013 following separation from Abbott Laboratories. The company's mission is to use its expertise, dedicated people and unique approach to innovation

Re: [ccp4bb] experimental phasing at low resolution

2015-04-28 Thread Stefan Gajewski
Hi, I doubt you have a TaBr cluster bound in your soaks. You'd expect a strong anomalous signal from cluster compounds (that's what they are made for) and you can easily get a low resolution anomalous signal from a few dislocated HA in the solvent channels, especially if you don't counter

Re: [ccp4bb] PAD images

2015-04-28 Thread Jan Dohnalek
Some software enables overlay of a batch of images so that you simulate the classical crude phi slicing and get visible patterns. I think we tried with d*Trek. Jan On Tue, Apr 28, 2015 at 9:20 AM, Graeme Winter graeme.win...@gmail.com wrote: Looking at PAD images is something we have had to

Re: [ccp4bb] Reading coords and maps in COOT for PDB entries in mmcif format

2015-04-28 Thread Takanori Nakane
Dear Andrew, This is not very CCP4-way, but you can use: phenix.fetch_pdb --maps 4wz7 It took about 10 minutes on my PC. Best regards, Takanori Nakane On 2015年04月28日 18:35, Andrew Leslie wrote: I am trying to get coordinates and maps into COOT for a PDB entry that is only in mmcif format.

Re: [ccp4bb] PAD images

2015-04-28 Thread Harry Powell
Hi In iMosflm we automatically blur the zoomed out image for Pilatus (not yet for Eiger or ADSC-PAD) to make it easier to see the spots on these images. It's also possible to sum up to 20 images (for viewing) in iMosflm (again, for Pilatus). We'll add this functionality for the other

[ccp4bb] Reading coords and maps in COOT for PDB entries in mmcif format

2015-04-28 Thread Andrew Leslie
I am trying to get coordinates and maps into COOT for a PDB entry that is only in mmcif format. If I select any of the Fetch PDB … options in COOT, I get the following error message: DEBUG:: in get-url-str: 4wz7 http://www.ebi.ac.uk/pdbe-srv/view/files/4wz7.ent; pdb

Re: [ccp4bb] experimental phasing at low resolution

2015-04-28 Thread Eleanor Dodson
Can you feed your unmerged MAD data into Pointless/ Aimless? (It will take mtzs or XDS or unmerged SCA files as input) The best plots in my experience to indicate whether you have an anomalous scatterer bound are the CCanom between the different wave lenths. If these give you CCs 0.6 for even the

Re: [ccp4bb] PAD images

2015-04-28 Thread Graeme Winter
Looking at PAD images is something we have had to get used to at Diamond, and sometimes it takes some tweaking to get a really good idea of what the images actually look like. This is a challenge if you measure the data properly with fine slicing low dose... One thing which really helps is to