Re: [ccp4bb] export the x, y value from AKTA UNICORN

Hi, shameless plug You can also use a python script I wrote some time ago, if you don't have access to the UNICORN software. If you have matplotlib installed, you can also plot the curves. Requires the original .RES file and works with python2 or 3. The script is on github: https://github.com/

Re: [ccp4bb] Post-translational modification of cystine

A while back Randy Read informed me of the capacity in Phaser for doing log-likelihood anomalous maps, and I was very happy with the results. Cys-sulfurs showed high peaks even though the incident x-rays were 1 Ang. I could also see what seemed to be chlorides and maybe potassiums, and even what

Re: [ccp4bb] Post-translational modification of cystine

The large atom of the end of the modification looks wrong to me for BME. If it were BME it would just be an oxygen right? From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] On Behalf Of RHYS GRINTER [r.grinte...@research.gla.ac.uk] Sent: 14 January 2015 00

Re: [ccp4bb] Post-translational modification of cystine

lower left corner, I buy a water molecule there .. Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Office: +1-410-614

[ccp4bb] Applications for RapiData 2015 are now open

The 2015 RapiData Course on Data Collection and Structure Solution will take place at the Stanford Synchrotron Radiation Lightsource (SSRL) from May 3-8 2015. The aim of the course is to educate and train scientists in data collection and processing methods at synchrotron beamlines, using state

Re: [ccp4bb] export the x, y value from AKTA UNICORN

You guys are fantastic! Thank you, Roberto and Monica!! Bing From: Orru, Roberto [roberto.o...@emory.edu] Sent: Monday, January 12, 2015 10:44 PM To: Wang, Bing; CCP4BB@JISCMAIL.AC.UK Subject: RE: export the x, y value from AKTA UNICORN Hello Bing, It is possible

Re: [ccp4bb] CCP4 Scalepack2mtz problem: Anisotropy correction failed

I might be completely wrong here but doesn’t it bother that the number of rejected reflections shown in log file is ~83000? It shows, at least to me, that either indexing step is far from being correct or crystal is not really good enough due to defects. Vaheh Oganesyan www.medimmune.com Fro

[ccp4bb] deposition through ADIT or wwPDB Deposition & Annotation (D&A) System

Hello everyone Is coordinate deposition through ADIT is still valid or it has to be done by the newly arrived wwPDB Deposition & Annotation (D&A) System of the RCSB..OR both are fine ? -- Regards Faisal School of Life Sciences JNU

Re: [ccp4bb] CCP4 Scalepack2mtz problem: Anisotropy correction failed

It is hard to tell without having the unmerged data (don't post that to the BB), but running the data through Pointless, Aimless ctruncate (though I had to fix Aimless) suggests 1. the data are not very good 2. the space group may be C2 3. it may be twinned (or just some spot overlap with the lo

Re: [ccp4bb] Ramachandran outlier

I don't think, online server of autobuster is available. It is freely available, you can install it and run locally. https://www.globalphasing.com/buster/manual/autobuster/manual/index.html Atul On 1/13/15, rohit kumar wrote: > Hi, > Is Autobuster a online server? > On 13-Jan-2015 2:27 pm, "Atu

Re: [ccp4bb] X-ray Source Differences (WAS: RE: [ccp4bb] How far does rad dam travel?)

Hi Tim, Jacob, I must admit that I was very surprised by the suggestion of a top-hat profile for a in-house rotating anode. We have a Rigaku Fr-E generator, and Rigaku provided a plot of the beam profile for that (with VariMax-HR Optic) and it is very far from being top

[ccp4bb] Big Bang Fair 2015 volunteer request

Dear All The BCA stand will be returning to the Big Bang Fair at the Birmingham NEC from the 11th-14th March 2015. The Big Bang Fair is the UK's biggest science and engineering event for school groups and families with over 75,000 visitors attending every year. Over the last few years we have

Re: [ccp4bb] Privateer fails to run

Dear Jon, yes indeed, as it was figured out with Eugene, it is my case. The problem was PDB ID in the header, which was putted there by refmac5. Removing or changing to PDB ID 1XXX solves the problem. Thank you both for help. Best regards Jan Dne 12. 1. 2015 v 17:28 Jon Agirre napsal(a

Re: [ccp4bb] Ramachandran outlier

Hi, Is Autobuster a online server? On 13-Jan-2015 2:27 pm, "Atul Kumar" wrote: > Dear Rohit, > > You can follow the way Tim suggested. At low resolution and for disordered > regions, autobuster works well for refinement. > > Atul > > On Tue, Jan 13, 2015 at 7:47 AM, Tim Gruene > wrote: > >> Dea

Re: [ccp4bb] Queries regarding bead beater and french press.

hello we have a French press, a bead machine and constant CellD disruptor in our institute. I can tell you that most people have switched to the Constant system because it works fine and is so much easier and faster to run and clean. people disrupt yeast without any problem. all the best Valer

Re: [ccp4bb] EMBO Practical Course on Small angle neutron and X-ray scattering from proteins in solution

If you are having trouble reading this email, view the Web Version. EMBO events EMBO Practical Course Small angle neutron and X-ray scattering from proteins in solution 18–22 May 2015 | Grenoble, France

Re: [ccp4bb] CCP4 Scalepack2mtz problem: Anisotropy correction failed

Hi, Since you posted the whole data set to the BB (a link to a file-sharing website might have been better), I took a look at it with other tools. Perhaps I’m running a later version of phenix.xtriage, as in my hands a moderate amount of anisotropy is found. Similarly, Phaser finds a moderate

Re: [ccp4bb] Ramachandran outlier

Dear Rohit, You can follow the way Tim suggested. At low resolution and for disordered regions, autobuster works well for refinement. Atul On Tue, Jan 13, 2015 at 7:47 AM, Tim Gruene wrote: > Dear Rohit Kumar Singh, > > you can remove a couple of residues before and after the outlier and > reb