[ccp4bb] Reminder: Announcement of the Workshop Diffraction Data Collection Using Synchrotron Radiation

2013-04-04 Thread Manfred S. Weiss
This is a reminder of the announcement of the Data Collection Workshop, which will take place at the BESSY II synchrotron in Berlin from June 13-15, 2013. There is only about 10 days left to the deadline. For details concerning the program, please see:

Re: [ccp4bb] new phaser and threads

2013-04-04 Thread Gabor Bunkoczi
Hi Francois, add the keyword JOBS N to your scripts. If it still uses more than N threads, this is possibly a bug. BW, Gabor On Apr 4 2013, Francois Berenger wrote: Hello, Is there a way to tell the new phaser to not use more than N threads when running? I have a problem with it

[ccp4bb] COOT usage for structure comparison

2013-04-04 Thread Evgeny Osipov
Hello everybody, I have a question about structures comparison in coot 0.7 After aligment I pick up one residue and see only atom name, residue number and chain identifier in status bar. Is there any way to see exact name of molecule ? Example: structures with pdb 3pps and 2q9o were loaded and

Re: [ccp4bb] COOT usage for structure comparison

2013-04-04 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear --, you also see the molecule ID in the status bar which matches the ID within the Display Manager Window which in turn shows the name of the structure file you loaded. Best, Tim On 04/04/2013 10:24 AM, Evgeny Osipov wrote: Hello everybody, I

Re: [ccp4bb] COOT usage for structure comparison

2013-04-04 Thread Ed Pozharski
On 04/04/2013 04:29 AM, Tim Gruene wrote: Dear --, Are we, the ccp4bb community, recently on the hunt to find new and exciting ways to make sure people stop asking questions? Gentleman from Moscow has clearly disclosed his full name and affiliation, but perhaps I am wrong and subtle

Re: [ccp4bb] COOT usage for structure comparison

2013-04-04 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Ed, I guess your criticism is adequate - I'll stop doing this. My apologies to Eugene. Best, Tim On 04/04/2013 02:43 PM, Ed Pozharski wrote: On 04/04/2013 04:29 AM, Tim Gruene wrote: Dear --, Are we, the ccp4bb community, recently on the hunt

[ccp4bb] pKa and electrostatic affinity

2013-04-04 Thread Deepak Oswal
Dear colleagues: I was wondering if you could kindly share your thoughts and help me understand the relationship between pKa and affinity of a protein for a ligand. Are these two properties related? Specifically, does a lysine with a pKa of 8.5 have a greater affinity for a negatively charged

Re: [ccp4bb] pKa and electrostatic affinity

2013-04-04 Thread Tanner, John J.
A good starting place: Biophys J. 1996 Oct;71(4):2049-55. Evaluation of linked protonation effects in protein binding reactions using isothermal titration calorimetry. Baker BM, Murphy KP. Abstract A theoretical development in the evaluation of proton linkage in protein binding reactions by

[ccp4bb] ICSG 2013 Abstract Deadline April 30, 2013: International Conference on Structural Genomics - Structural Life Science

2013-04-04 Thread Terwilliger, Thomas C
Dear Colleagues, We hope that you are planning to attend the International Conference on Structural Genomics 2013, which will be held in Sapporo, Hokkaido, Japan, July 29th – August 1st, 2013. ICSG2013-SLS is intended to provide an overview for the most recent developments in Structural

[ccp4bb] positions open in Dublin, Ireland

2013-04-04 Thread Amir Khan
Applications from potential PhD students, post-doctoral fellows, and research technicians are invited for the protein X-ray crystallography group at Trinity College Dublin, Ireland. The projects are diverse and involve the crystallization of bacterial/cellular protein complexes associated with

[ccp4bb] CCP4 Update 021

2013-04-04 Thread Andrey Lebedev
Dear CCP4 Users A CCP4 update has just been released, consisting of the following changes. * QtRView: corrected Prosmart result page; enabled incorporation of web-links into citation section If you do not currently receive updates, consider re-installing your CCP4 setup using the latest binary

[ccp4bb] Building ideal B DNA model in Coot

2013-04-04 Thread 李翔
Hi everyone, I met a problem when trying to build ideal DNA model in Coot. The calculated DNA looks less than 10.5 bp/ turn, probably is about 10 bp/ turn. Is there a way for me to change the pitch to make it 10.5 bp/turn in Coot? Thanks for your kind help! Sincerely, Frank