[ccp4bb] Postdoctoral Position in Structure-Based Drug Discovery at The Institute of Cancer Research

2010-02-15 Thread Rob vanMontfort
(B355) Post-doctoral Training Fellow - Cancer Research UK Centre for Cancer Therapeutics Section of Cancer Therapeutics (including the Cancer Research UK Centre for Cancer Therapeutics) The Institute of Cancer Research (a college of the University of London) is a world-class cancer

Re: [ccp4bb] slow graphic in mac 10.6

2010-02-15 Thread Andreas Förster
Hey Rui, for what it's worth, I had a very similar problem. I upgraded a MacBook Pro to OSX SP6 and got extra-slow graphics and a wildly flickering PyMOL window - only on the laptop screen, though. On the external screen, PyMOL looked ok. Ray-tracing was painfully slow in either window.

[ccp4bb] High R and Rfree factors

2010-02-15 Thread Mirage Singh Baliyan
Dear all, I am working on a structure with resolution up to 2.7 Ang.in space group P43212. I am able to fit two molecules of this 10 Kd protein in the asymmetric unit using PHASER, however the solvent content was only 30 % and matthews coefficient was around 1.70. After molecular

Re: [ccp4bb] slow graphic in mac 10.6

2010-02-15 Thread Serge Cohen
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 For what it is worth (I'm fairly confident that indeed this is not the cause of the problem you are seeing, but better checking than missing the point): The current MacBook Pro also have two GPU, one integrated in the chipset and a more powerful

Re: [ccp4bb] slow graphic in mac 10.6

2010-02-15 Thread Andreas Förster
Serge, this might indeed be the problem for some, but my MacBook is of an older vintage and only has one GPU. Andreas On 15/02/2010 10:10, Serge Cohen wrote: -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 For what it is worth (I'm fairly confident that indeed this is not the cause of

[ccp4bb] publBio

2010-02-15 Thread Klaus Piontek
Dear Xtalographers, has someone out there ever used publBio, a tool for preparing manuscripts for publication (e.g. to Acta Cryst.)? What was your experience? BR, Klaus Dr. Klaus Piontek Albert-Ludwigs-University Freiburg Institute of Organic Chemistry and Biochemistry, Room 401 H

[ccp4bb] Protein Platform Manager PSI

2010-02-15 Thread Gebhard F. X. Schertler
Unique oportunity for a permanent position as platform manager at the Biomolecular Research Laboratory - The Paul Scherrer Institute is with 1300 employees the largest research centre for the natural and engineering sciences in Switzerland and a worldwide leading user laboratory.

[ccp4bb] Distinguishing Between Na+ and H2O

2010-02-15 Thread Jacob Keller
Dear Crystallographers, I am looking at a 1.0 Angstrom structure which contains many waters, but I am wondering whether some of them might really be sodium ions. Is there any straightforward way to distinguish between these two, and if so, what is the software which implements this? Although

Re: [ccp4bb] Distinguishing Between Na+ and H2O

2010-02-15 Thread Bernhard Rupp
HOH-Na distance about 2.1 A. Marjorie Harding's web page has a distance/geometry listing and derived table is in my appendix (I mean the one of the book..) http://tanna.bch.ed.ac.uk/index.html http://eduliss.bch.ed.ac.uk/MESPEUS/ BR -Original Message- From: CCP4 bulletin board

Re: [ccp4bb] Distinguishing Between Na+ and H2O

2010-02-15 Thread mark Mayer
Try USF STAN server and run WASP. http://alpha2.bmc.uu.se/usf/ It picks up waters which could be potential cations based on geometry; it works well in our hands, but misses those ions for which ligands come are generated by crystallographic symmetry; if this is important, then expand your AU

Re: [ccp4bb] Distinguishing Between Na+ and H2O

2010-02-15 Thread Bernhard Rupp
Correction - 2.4 on the HOH-Na distance. Should have read the book, I guess. -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Bernhard Rupp Sent: Monday, February 15, 2010 12:42 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Distinguishing

[ccp4bb] AW: [ccp4bb] Ligplot for active sites without any ligand

2010-02-15 Thread Marek Frischerkase
Hi Katja, I think you can do this just by hand in coot (environmental distances) or in pymol/ccp4mg, even if it´s diffult to show all residues around an active site in one picture. M. --- Katja Schleider katjaschlei...@yahoo.de schrieb am So, 14.2.2010: Von: Katja Schleider