[ccp4bb] exclude NCS regions in phenix.refine

Hello all, I'm refining a structure with 4 molecules in the AU. The molecules have substantial differences in certain regions, so I want to exclude those regions from the NCS restraints calculation and usage. How do i do this? As far as I can see, by selecting residues via for example "chain A

[ccp4bb] Postdoc position

A postdoctoral position focusing on molecular mechanisms of autophagy is available immediately at The Scripps Research Institute (La Jolla, California). The main projects in the lab are structural analysis of autophagy core components and in vitro reconstitution of the pathway. Highly motivated re

[ccp4bb] 39th Mid-Atlantic Macromolecular Crystallography meeting

Dear Colleague, It is our pleasure to announce that the 39th Midatlantic Macromolecular Crystallography Meeting will be held between the 28th and th 30th of May, 2009 on the picturesque campus of the University of Maryland at College Park MD. There will be a symposium honoring David R. Davies fo

Re: [ccp4bb] Twin refinement not working in CCP4 6.1.1

I have the same problem when running the latest ccp4 (6.1.1 on os x, updated 1 hour ago via fink). Only way I managed to circumvent it is to add the TWIN keyword in the command file as well.. Cheers, Ronnie Berntsson On Mar 2, 2009, at 16:06, Carr, SB (Stephen) wrote: Dear CCP4BB, I have

Re: [ccp4bb] coot crashes

On Mar 2, 2009, at 7:47 AM, Justin Lecher wrote: William G. Scott schrieb: On Mar 2, 2009, at 4:25 AM, Vellieux Frederic wrote: Any idea? Is it there? http://www.mail-archive.com/ubuntu-b...@lists.ubuntu.com/msg663049.html It was on the ccp4bb not on thc COOT list. Sue me. -- Justin

[ccp4bb] Broken chain in Pymol display

Hi all, I tried to display a refined structure (final steps in phenix.refine) in Pymol, but several places are not connected. BTW, the structure displays normally in Coot and bond angle and length deviation are below 1.0 and 0.006, respectively. Thank you, Joe

Re: [ccp4bb] coot crashes

William G. Scott schrieb: > On Mar 2, 2009, at 4:25 AM, Vellieux Frederic wrote: > >> Any idea? > > Is it there? > > http://www.mail-archive.com/ubuntu-b...@lists.ubuntu.com/msg663049.html It was on the ccp4bb not on thc COOT list. -- Justin Lecher Institute for Neuroscience and Biophysics IS

[ccp4bb] Twin refinement not working in CCP4 6.1.1

Dear CCP4BB, I have come across a problem when running refmac5 in CCP4 6.1.1 via the gui. I have a twinned data set and so want to refine the twin fraction of the data. I selected amplitude based twin refinement in the gui, but find that the resulting command file does not contain the twin keywo

[ccp4bb] Off topic: Position announcement - Chair, Department of Structural and Computational Biology - SUNY Buffalo

Dear all, if you know of any candidates that may be suitable for the position below could you please advise them of this opportunity. All inquiries or nominations should go directly to Bruce Holm, Chair Structural and Computational Biology Search Committee, bah...@buffalo.edu. Thanks, Eddie Snell

[ccp4bb] 8th PSI Summer School Zuoz, Functional Materials, August 1 7, 2009

Dear colleagues We would like to announce the 8th PSI Summer School in Zuoz from August 1 – 7, 2009. More detailed information on the school can be found on the website http://school.web.psi.ch/html/index.shtml . We appreciate it if you would forward this link at your institute/department.

Re: [ccp4bb] coot crashes

Hi Tim, Coot crashes only when I try to mutate the residue. There has been no system update on my machine (I prevented that just so that library problems would not occur!). I ran the same version of coot on another machine, and coot did not crash when mutating. I don't know why. Fred Tim Gr

Re: [ccp4bb] coot crashes

Hi Fred, does coot crash upon start-up, or when you try to mutate the sequence? I can imagine that Gtk issues such a warning about a missing library without failing to start. In that case, the line you are posting is not the cause of error. If it is the cause, than you must find the package

[ccp4bb] coot crashes

Hello all, Until now I was using coot on my Linux box without problems. Now I have a new structure (molecular replacement) that I try to mutate to the correct sequence. Coot crashes with the following error message: Gtk-WARNING **: Failed to load module "libgnomebreakpad.so": libgnomebreakp

Re: [ccp4bb] unit cell flags in mtz files and refmac

This is a REFMAC bug; now fixed I believe.. at least in version 82 and higher.. You can download it from Garibs web site.. Eleanor Jan Abendroth wrote: Hi all, I am trying to follow good practices and keep my set of free reflections between data sets, eg. in this case between an in-house low