[ccp4bb] Postdoctoral position in Brisbane, Australia

Happy New Year everyone Sorry for posting this again, but the application deadline is 18 January (still 2 weeks away) and it has been a while since I posted this the first time. Thanks to everyone who applied already! POSTDOCTORAL POSITION IN MACROMOLECULAR CRYSTALLOGRAPHY, UNIVERSITY OF

Re: [ccp4bb] editing phi and psi angles in coot

Sylvia Fanucchi wrote: Hi and Happy New Year to you all Hello Sylvia. I have a little question about editing phi and psi angles in coot. When I click on the residue to adjust, it brings up a Ramachandran plot with a single dot corresponding to the phi and psi angles of the residue

Re: [ccp4bb] refmac5 not refining metal ion

james09 pruza wrote: Dear All, I am using Refmac5 and have metal in the structure. The refmac program is not reading this from the library file and hence not refining this metal ion. What is the way to solve this problem. Thanks in advance. J... Do you have the correct format for the ATOM

Re: [ccp4bb] editing phi and psi angles in coot

Hello Paul, I almost never use this tool these days. You can find out why at the study weekend :) Paul. What about those who don't attend? Tant pis? Cheers, Tim

[ccp4bb] PDB Validation Report

Dear all, I just finished my first protein structure. More or less. I'm using right now the pdb validation server to check the data and the data look quite well.. The only point irretating is following line in the Adit Validation Report: The following residues have unexpected configuration of

[ccp4bb] arp/warp installation

Dear all, I downloaded ARP/wARP 7.1 from EMBL-Hamburg and executed ./install.sh. All tests pass up to and including refmac version check (see log below). After that, a Badly formed number in an if test. What could be the issue? The system is Redhat EL 5.4, tcsh. Thanks. Andreas

Re: [ccp4bb] arp/warp installation

The attached slightly modified script fixes that problem Phil install_csh.sh.gz Description: GNU Zip compressed data On 4 Jan 2010, at 11:15, Andreas Förster wrote: Dear all, I downloaded ARP/wARP 7.1 from EMBL-Hamburg and executed ./install.sh. All tests pass up to and including

Re: [ccp4bb] arp/warp installation

As Phil realized, the leading zeros in the refmac5 version number were the culprit that broke the original installation script. His modified version works beautifully. Thanks. Andreas On 04/01/2010 11:27, Phil Evans wrote: The attached slightly modified script fixes that problem Phil

[ccp4bb] Please apply for RapiData 2010, a course on Data Collection and Structure Solving at the NSLS.

We are offering RapiData 2010, the twelfth offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in Macromolecular X-Ray Diffraction Measurement The course will be held 11-16 April 2010. Students could be at any level from

[ccp4bb] Postdoctoral positions in Bioinformatics and Computational Biology (University of Michigan)

Highly motivated and creative postdoctoral candidates are sought to work at the Center for Computational Medicine Bioinformatics, University of Michigan Medical School. The candidates will work on developing algorithms for protein structure prediction, structure modeling of membrane proteins

[ccp4bb] Refmac refinement

Hi, I have a question about the refinement by Refmac program in CCP4 package. I tried both the old version(1.4.4) and the latest version (2.0.5) for restrained refinement, and they gave me different result. For old version, it's 0.192/0.250-- 0.191/0.247, while for the latest version,

[ccp4bb] Intel compiler in the news

This might be of interest to the scientific computing community: http://www.osnews.com/story/22683/Intel_Forced_to_Remove_Cripple_AMD_Function_from_Compiler_ Intel Forced to Remove Cripple AMD Function from Compiler? posted by Thom Holwerda on Sun 3rd Jan 2010 20:32 UTC Icon Here's

[ccp4bb] Scientist position at Constellation pharmaceuticals

Scientist Structural Biology Constellation Pharmaceuticals is a rapidly growing biopharmaceutical company dedicated to the development of novel therapeutics in the emerging field of Epigenetics. The structural biology group at Constellation is looking for an enthusiastic and collaborative

Re: [ccp4bb] Refmac refinement

Hi Feng, just my speculations (of course, the respective authors of the program you use may provide you with a better answer): In terms of refinement results, all pairs of numbers below look the same to me (regardless the refinement program used): 0.192/0.250 0.191/0.247 0.202/0.254

Re: [ccp4bb] Refmac refinement

What are the versions of refmac you are using. Differences (as Pavel mentioned) could be scaling and different scaling parameters. If you would send your log file to me I can try to find out and try to sort out this problem. regards Garib On 4 Jan 2010, at 17:35, Feng Guo wrote: Hi, I