[ccp4bb] Macromolecular Crystallography workshop in South America

Dear colleagues, We are pleased to announce our sixth edition of the Workshop: Macromolecular Crystallography School "From data processing to structure refinement and beyond", to be held at the Institut Pasteur de Montevideo (Uruguay). http://pasteur.uy/mx2017 Dates: November 13 - 23, 2017

Re: [ccp4bb] Refienmnet

Dear Rohit, in your refinement table I find that the R-factors are elevated in the ice ring ranges (around 2.22 and 1.93 A resolution). And your data collections statistics seem to confirm this - CC1/2 is very high at high resolution which is often due to ice rings. Could be a classical case

Re: [ccp4bb] "reset" a structure before re-refinement

Dear Graeme, You can also type the following on a command line, optional commands are given in square parentheses. Victor $warpbin/arp_warp mode shakemodel allatoms files ccp4 xyzin FILENAME.pdb xyzout FILENAME.pdb symmetry SPACEGROUP shakemodel [ bexclude B1 ] [ breset B1 B2 ] [ randomise X

[ccp4bb] postdoctoral position available

I would like to draw your attention to a position available in New York City: The laboratories of Kartik Chandran and Steve Almo at the Albert Einstein College of Medicine seek a highly motivated and innovative post-doctoral scientist interested in the structural, mechanistic and functional

Re: [ccp4bb] "reset" a structure before re-refinement

Dear Graeme, The WIGL instruction in SHELXL does exactly that, and has some useful options. http://shelx.uni-ac.gwdg.de/SHELX/shelxl_html.php#WIGL Best wishes, George On 08/17/2017 05:17 PM, Graeme Winter wrote: Dear All, Is there a protocol out there to gently perturb atomic positions so

Re: [ccp4bb] "reset" a structure before re-refinement

In most cases resetting the B-factors would be enough to perturb the model. Cheers, Robbie Sent from my Windows 10 phone From: Andrew Leslie Sent: 17 August 2017 17:29 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] "reset" a

Re: [ccp4bb] "reset" a structure before re-refinement

Hi Graeme, You can do this with PDBSET, keyword NOISE Cheers, Andrew > On 17 Aug 2017, at 16:17, Graeme Winter wrote: > > Dear All, > > Is there a protocol out there to gently perturb atomic positions so that > re-running refinement can essentially put them

[ccp4bb] "reset" a structure before re-refinement

Dear All, Is there a protocol out there to gently perturb atomic positions so that re-running refinement can essentially put them back without bias from the original refinement? In particular, if trying to perform the Karplus and Diederichs paired refinement protocol, I do not want to run the

[ccp4bb] Assistant Professor position in Cryo-Electron Microscopy/Tomography at Princeton University

The Molecular Biology Department at Princeton University invites applications for a tenure-track faculty position at the Assistant Professor level. We are seeking a colleague whose research will leverage high resolution cryo-electron microscopy and/or cryo-electron tomography in the study of

[ccp4bb] Postdoctoral position - Group of Professor Gabriel Waksman - Birkbeck

Postdoctoral Researcher – Cryo-Electron Microscopy and Cell Biology of Type IV Secretion Systems The ISMB at Birkbeck is seeking one Post-doctoral Research Assistant to carry out structural and cellular analysis of the Type IV Secretion Systems by cryo-electron tomography, cryo-electron