Re: [ccp4bb] [PyMOL] PyMol graphics problem in Ubuntu 13.10, ATI Radeon HD 4650

2013-11-26 Thread mesters
Hello Hitesh, please have a look at the following link, http://ubuntuforums.org/showthread.php?t=1444738 , were it is described in detail how to get the driver to work under ubuntu. - Jeroen - -- Dr. Jeroen R. Mesters D

Re: [ccp4bb] trying to trace main chain of loop region in two alternative ways

2013-11-26 Thread Shyamosree Bhattacharya
I am using Refmac5 to refine my protein structure. Shy

[ccp4bb] trying to trace main chain of loop region in two alternative ways

2013-11-26 Thread Shyamosree Bhattacharya
Hello everyone, The electron density of my structure displays two alternative traces for the main chain in a loop region. Is there a way I can refine the structure with both the alternative main chains in place with 50% occupancy each? Thanks, Shy -- Shyamosree Bhattacharya 4th year Graduate St

[ccp4bb] Postdoctoral position, Edmonton (Canada)

2013-11-26 Thread M. Joanne Lemieux
Applications are invited for a postdoctoral position to work on crystallography of membrane-embedded enzymes. Experience in crystallography is preferred. In addition, the successful candidate should be well versed in one or more of the following areas: molecular biology, protein purification, and m

Re: [ccp4bb] SSRL ; Can not access

2013-11-26 Thread Oliver Zeldin
I just checked, and am logging on fine. Oli On Tue, Nov 26, 2013 at 9:40 AM, Daniel wrote: > Hi folks, > > I can not access to SSRL from yesterday. smbnxs1.slac.stanford.edu. or > smbnxs2.slac.stanford.edu > I wonder something is wrong in the server. > Please let me know what happened to the S

[ccp4bb] SSRL ; Can not access

2013-11-26 Thread Daniel
Hi folks, I can not access to SSRL from yesterday. smbnxs1.slac.stanford.edu. or smbnxs2.slac.stanford.edu I wonder something is wrong in the server. Please let me know what happened to the SSRL if you know that. Thanks to all. Daniel

Re: [ccp4bb] Stereo monitor

2013-11-26 Thread Tobias Beck
Thanks! On Tue, Nov 26, 2013 at 5:03 PM, mesters wrote: > YES!, this new card will work (once properly set-up under linux). I > triple checked the new k600 card actually has a dual-link DVI and it has. > So, no problem linking it to the VG278HR. > > It is listed "windows only" because it lacks

Re: [ccp4bb] Stereo monitor

2013-11-26 Thread mesters
YES!, this new card will work (once properly set-up under linux). I triple checked the new k600 card actually has a dual-link DVI and it has. So, no problem linking it to the VG278HR. It is listed "windows only" because it lacks the 3-pin connector...

Re: [ccp4bb] The 10% Gap between R-factor and R-free

2013-11-26 Thread Pavel Afonine
Hi Wenhua, concerning phenix.refine: just run it again with weights optimization and it should fix the problem (assuming everything else done right: such as you are using correct refinement strategy). If using weights optimization does not help then let me know off list or on Phenix mailing list a

[ccp4bb] Industrial Research from Young Scientists, 2014 ACA Meeting

2013-11-26 Thread George Lountos
The Industrial Special Interest Group and Young Scientists Special Interest Group of the American Crystallographic Association will be hosting a scientific session on Sunday, May 25, 2014 during the ACA Meeting in Albuquerque, New Mexico which will highlight research by young scientists (undergr

Re: [ccp4bb] Stereo monitor

2013-11-26 Thread Tobias Beck
Dear all, Thanks to all for the information, especially to Jeroen for the detailed comments and thanks to Kay for the Wiki link, that was really helpful! So one possible option among others seems to be: - NVIDIA Quadro K600 - Asus VG278HR Just to get it right: Although the K600 is listed under

Re: [ccp4bb] Refinement of data with pseudo translation symmetry

2013-11-26 Thread Eleanor Dodson
Well - your R values will probably appear higher than normal - there will be zones where all reflections are weak.. but the maximum likelihood targets are meant to deal with this reasonably well. It seems to work and the maps usually look OK! Eleanor On 25 November 2013 22:31, Niu Tou wrote:

Re: [ccp4bb] The 10% Gap between R-factor and R-free

2013-11-26 Thread Ian Tickle
Hi Wenhua You didn't say what resolution your structure is: that's critical to deciding how significant is the R-factor difference (or more strictly the ratio). There are other factors such as solvent content: generally anything which affects the obs/param ratio (such as NCS restraints) will also

Re: [ccp4bb] The 10% Gap between R-factor and R-free

2013-11-26 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Wenhua, a large gap between R1 and Rfree is often inficative for overfitting. Take a look at the following: - - how many water molecules are there in total? Do they all chamically make sense, do some of them have large B-values? Water molecules

[ccp4bb] The 10% Gap between R-factor and R-free

2013-11-26 Thread Wenhua Zhang
Good Morning to ALL, I encountered large gaps between R-factor and R-free, eg. 10% and 11%, during refining several structures with either Refmac or Phenix.refine. The data were reduced and scaled at resolution with I/SIGMA higher than 2.3. The model fits and density pretty well despit