Re: [ccp4bb] Only refine "B"s in Refmac?

2013-09-04 Thread Garib N Murshudov
Hi refine bref bonly should be what you are looking for. You may need to use the latest available version (5.8) from our LMB site: http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ With best regards Garib On 4 Sep 2013, at 19:59, hari jayaram wrote: > Hi, > How does one only refine "B"s in ref

[ccp4bb] Only refine "B"s in Refmac?

2013-09-04 Thread hari jayaram
Hi, How does one only refine "B"s in refmac without changing the model coordinates . Is this accomplished using a zero cycle refinement with b-refinement set. I have never had to do this till now and didnt know how to set it up. Thanks Hari

Re: [ccp4bb] Fo simulators?

2013-09-04 Thread Pete Meyer
sftools is another option (for applying randomly distributed errors to Fc). Depending on what you're simulating, it might be worth pointing out that while it's relatively easy to simulate Fo, it's more difficult to simulate sigFo realistically. This matters for any simulations using sigma_a (

Re: [ccp4bb] Off topic: Crystallization screening robot

2013-09-04 Thread Demetres D. Leonidas
Hi, to add my thoughts I believe that what your friend is looking for is the OryxNano from Douglas Instruments. We use it for screening, and it is a really trouble free machine. The consumables are not expensive (plates and sealing tape actually) and the price is rather low. I would think tha

Re: [ccp4bb] Off topic: Crystallization screening robot

2013-09-04 Thread Roger Rowlett
For a small lab looking for an affordable liquid handling robot with low consumables use, I would consider the Gryphon dropsetter. If you wish it can be equipped for LCP. The latest software also allows the nano-dispenser to be used for random microseeding. (We are about to try that out on a cu

Re: [ccp4bb] Off topic: Crystallization screening robot

2013-09-04 Thread Artem Evdokimov
Hi, The most rock-solid robotic screening platform in my experience has been the Mosquito. It has a supply spend of ~$2000/reel of tape which has ~27,000 tips on it so it's roughly 9-9 cents per tip - so per plate with thee proteins on it it's about 3 bucks depending on how you organize the set up

[ccp4bb] A Postdoctoral Scholar position in structural biology

2013-09-04 Thread Oleg Tsodikov
*A Postdoctoral Scholar position in structural biology at the University of Kentucky* A Postdoctoral Scholar position in structural biology is available in the laboratory of Dr. Oleg Tsodikov at the Department of Pharmaceutical Sciences at the University of Kentucky ( http://pharmacy.mc.uky.edu/

Re: [ccp4bb] Fo simulators?

2013-09-04 Thread Boaz Shaanan
Isn't one of the tools/simulators that James Holton developed what you're looking for? They're accessible to the public as far as I know (if that's what you mean by 'open source'). Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel

Re: [ccp4bb] Fo simulators?

2013-09-04 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Alastair Fyfe, sfall can generate amplitudes from coordinates, but I guess you know this. Out of curiosity: What exactly to you mean to "simulate an observation" as opposed to calculate amplitudes from a model? It sounds nearly like an oxymoron t