Re: [ccp4bb] Ca or Zn

2012-10-31 Thread Jrh
Dear Ethan, Yes indeed. An exciting development underway at Diamond Light Source led by Armin Wagner will greatly improve the ease of measurement at eg the calcium edge but also extending that wavelength range. The furin paper I quoted did nevertheless successfully show structural detail

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-31 Thread Miguel Ortiz Lombardía
Le 30/10/12 20:28, Jason Busby a écrit : Another work-around is to use the command-tilde (⌘ + ~) keystroke. That will cycle through all the windows of the current program. Jason. -- Jason Busby PhD Student Laboratory of Structural Biology School of Biological Sciences University of

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-31 Thread Damian Niegowski
Choosing one of the desired program/instance windows and pressing F10 is probably the most simple way. F10 will show you all windows open accosiated with the one you choose. Damian Niegowski Ph.D. Institute of Medical Biochemistry and Biophysics Karolinska Institutet Scheeles väg 2 171 77

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-31 Thread Antony Oliver
Unfortunately, that very much depends on which OSX you are running (Leopard, Snow Leopard, Lion, Mountain Lion) and which keyboard you have…! On my keyboard it's F3 and not F10. T. --- Dr Antony W Oliver Senior Research Fellow CR-UK DNA Repair Enzymes Group Genome Damage and Stability Centre

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-31 Thread Damian Niegowski
On OSX 10.6.8.(Show Leopard) which was the system in question this option exist, but you are right, the key used might be different. Damian Niegowski Ph.D. Institute of Medical Biochemistry and Biophysics Karolinska Institutet Scheeles väg 2 171 77 STOCKHOLM e-mail:

Re: [ccp4bb] Phaser MR with partial solution, 8 molecules/ASU

2012-10-31 Thread Eleanor Dodson
On the whole it is good practice to refine the 7 molecules you have - correct sequence etc etc, all with NCS restraints a 3A, then if you like use one of your improved molecules as the search model. But don't you have some NC symmetry such as dimers or tetramers - if so take one of the complete

Re: [ccp4bb] refmac

2012-10-31 Thread Eleanor Dodson
Please send an extract - you probably have a format error.. Or do you have 1500 chais?) Eleanor On 30 Oct 2012, at 22:43, jp d wrote: hi, i have a large pdb file and i keep getting this error with refmac ERROR: number of chains 1500 i suspect something needs to be done to my pdb any

Re: [ccp4bb] oof topic: pH effect on substrate analog

2012-10-31 Thread Ed Pozharski
On Tue, 2012-10-30 at 16:12 +, Peter Hsu wrote: I'm wondering, since I lack activity at this pH point, would it lead to no binding of a substrate analog? Not necessarily. You should check pH dependence of the Km - it might be that lower activity is primarily due to reduction in kcat.

[ccp4bb] Position: Project Manager for the International Year of Crystallography

2012-10-31 Thread Louise Jones
PROJECT MANAGER FOR THE INTERNATIONAL YEAR OF CRYSTALLOGRAPHY Organisation: International Union of Crystallography Location: Chester, UK Highly Competitive Salary: £40K minimum Term: Fixed term (2 years) Description: The UN General Assembly has designated 2014 as the International Year of

[ccp4bb] PhD student opening, Department of Drug Design and Pharmacology, University of Copenhagen

2012-10-31 Thread Michael Gajhede
Please note the opening for the project: Neutron and X-ray structural studies of the epigenetic regulator KDM5B and its interaction partners in oncogene regulation With application deadline 8 november 2012. More details at http://www.farma.ku.dk/index.php?id=11675 Best wishes Michael Gajhede

[ccp4bb] fragment searching

2012-10-31 Thread rui
Does anyone know a good way to search for a fragment matches(~16 residue long helix or loop) from pdb?I have a fragment of pdb and want to pull out all the similar structures from the pdb, any easy way to do that? Thanks a lot. On Tue, Oct 30, 2012 at 9:34 AM, David Briggs

[ccp4bb] Workshop Computational challenges in Structural Biology Strasbourg November 14 15 2012

2012-10-31 Thread Bruno KLAHOLZ
Workshop Computational challenges in Structural Biology Strasbourg November 14 15 2012. See web site : http://ccsb2012.loria.fr/ This mail is to announce the forthcoming workshop Computational challenges in Structural Biology which will be held in Strasbourg November 14 15 2012.The main aim

[ccp4bb] Faculty positions at Molecular Biophysics Unit, IISc, Bangalore

2012-10-31 Thread Joy Kumar
Dear Sham Well-done , You did a great job by raising this issue on CCP4, I am sure most of the Indian post docs/ scientists working outside India will agree with you. Sham ! I think you are wrong here:* You said In all cases, (I would say only 95 % cases) it is their mutual understanding to fix

[ccp4bb] Position in Structural Biology at OIST, Okinawa, Japan

2012-10-31 Thread Job TmT
Postdoctoral Position in Structural Biology at OIST, Okinawa, Japan A Postdoctoral position in Structural Biology (Protein X-ray crystallography) is available in the Trans-membrane Trafficking Unit at Okinawa Institute of Science and Technology, Okinawa Japan. We are seeking for an innovative,

Re: [ccp4bb] fragment searching

2012-10-31 Thread eugene . krissinel
CCP4's gesamt should help you here. It can search a collection of PDB/mmCIF files for a structural match, any mainchain fragment with C-alphas would do. For searching through an archive, you need to use it off-line, from a terminal window. Run $CCP4/bin/gesamt without parameters, it will print