[ccp4bb] Ample fails

2014-07-11 Thread Florian Sauer
Dear all, I'm trying to use Ample from CCP4 (6.4) to solve a structure of 2x197 residues from 2.0 A data. After the generation of initial (120) models by Rosetta (3.3) Ample stops with the error-message below. Could anyone provide me information about the origin of this error and possibly how to

Re: [ccp4bb] Ample fails

2014-07-11 Thread Thomas, Jens
Dear Florian, Sorry to hear that Ample isn't working for you. I haven't seen this error before, but my initial guess would be that you're trying to run Ample on Windows? If so then unfortunately the current release of Ample isn't supported on Windows. Most of the work to port Ample to Windows

[ccp4bb] PhD-position in enzyme crystallography

2014-07-11 Thread Eric Strittmatter
Dear all, a PhD-position is available immediately in the laboratory of Prof. Dietmar A. Plattner at the University of Freiburg, Germany. We are seeking a highly motivated student with previous experience in enzyme handling (purification, characterization) and, ideally, protein X-ray

Re: [ccp4bb] CCP4-JHBuild: how to build both static and shared libs?

2014-07-11 Thread Marcin Wojdyr
On Tue, Jul 08, 2014 at 07:50:42AM +0100, Alastair Fyfe wrote: Is there a JHBuild setting for requesting both static and shared libs? The default seems to only build *.so(s) and setting _build_static=True in conf.py only yields *.a(s). For libraries that use autotools for building (that

[ccp4bb] Disrupt beta sheet formation

2014-07-11 Thread Reza Khayat
Hi, I have a protein that is prone to aggregation. I think the problem may be caused by a stretch of six-residues at the N-terminus that is predicted to form a beta-strand. I think this beta-strand is open ended and may form beta- sheets (similar to amyloid fibers) leading to the aggregation I

[ccp4bb] Structural Biology post-doc position, Portsmouth UK

2014-07-11 Thread Simon Kolstoe
Dear ccp4bb, I’ve just got my first grant from the BBSRC and need to recruit a post-doc. The project will involve protein expression using HEK293 followed by crystallisation/data collection and conducting binding assays (Biacore, ITC, AUC etc.). The details and how to apply can be found on the

[ccp4bb] position lab manager

2014-07-11 Thread jens Preben Morth
Dear Colleagues Please forward this to suited candidates, candidates must apply through the link, sorry for the Norwegian (Scandinavian'ish) requirement, the candidate needs to be able to navigate around in the purchase portal only offered in Norwegian.

[ccp4bb] Post doctoral position at the protein crystallization core facility / Institute of Biotechnology, University of Helsinki

2014-07-11 Thread Tommi Kajander
A postdoctoral position is available in the Biocenter Finland Crystallization Core Facility, in the research group of Dr. Tommi Kajander at the institute of Biotechnology at University of Helsinki, Finland. The position is funded for two years starting from September 2014. The position will

Re: [ccp4bb] Proper detwinning?

2014-07-11 Thread Chris Fage
Nat and Misha, Thank you for the suggestions. Xtriage does indeed detect twinning in P1, reporting similar values for |L|, L^2, and twin fraction as in P212121. The unit cell dimensions for the 2.0-A structure (P1) are: 72.050 105.987 201.142 89.97 89.98 89.94 P 1 The unit cell dimensions

Re: [ccp4bb] Proper detwinning?

2014-07-11 Thread Phil Jeffrey
Chris, To change the axis ordering for e.g. changing which cell edge is the P21 B axis use an hkl matrix command. Probably can do this via the Macros during scaling but I distrust this and just edit scl.in by hand and run it as scalepack scl.in For k,l,h reindexing use hkl matrix 0 1 0 0