Re: [ccp4bb] DM NCS averaging question

Well - if the CCs are 0 then no averaging can take place. You know you can let DM make the mask itself - are you using the GUI? It shows you what to set.. Eleanr zhan...@umbc.edu wrote: Hi, Thanks for reminding me checking the mask. I think their might be something wrong with the mask,

[ccp4bb] SUMMARY: ROSETTA for MR model generation

Summary to answers to question about MR-based models generated by ROSETTA (thanks to all who replied so quickly): ***‘De novo methods’*** 1. Arcimboldo (suggested by Isabel Uson Finkenzeller and Peter Grey) Nature Methods 6:651-3. Crystallographic ab initio protein structure solution

[ccp4bb] How to run PHENIX on a WINDOWS box using a virtual machine

Hello, I am posting the following information on behalf my colleague Professor Michael Blaber since the instructions for running PHENIX on Windows machine could be beneficial to the larger CCP4 community. Thanks. /FYI -- I have complied instructions on how to run PHENIX on a WINDOWS box

[ccp4bb] Postdoctoral position in X-ray crystallography

Applications are invited for a postdoctoral research position in the Das Lab, Department of Chemistry, Purdue University, West Lafayette, IN, USA. The position requires the applicant to work on structural and biochemical characterization of ubiquitin hydrolases (deubiquitinases) and their

[ccp4bb] CCP4 6.1.13 and ARP/wARP 7.1

Dear Colleagues, some of you might have noticed that ARP/wARP does not install cleanly with the latest version of CCP4, 6.1.13. We did some experiments ourselves and can confirm the observation of an incomplete installation that is only partly functional, the lack of the possibility of

[ccp4bb] About SAD phasing

Hi, All I would like to ask whether is it possible to allocate the Se site and obtain the phase by just using the SAD data set (no native dataset used)? Thanks, Qing

Re: [ccp4bb] About SAD phasing

Yes! Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407

Re: [ccp4bb] About SAD phasing

Dear Qing, Many structures have been solved that way. Make sure you try solvent modification (flattening / flipping) on your map. This is because SAD will give two equally-probably estimates for the phase. The initial, unmodified map will use the average of the two, but solve modification

Re: [ccp4bb] About SAD phasing

Hi Qing, just want to add that it also may depend on the redundancy of the data. While good MAD experiments were performed with low redundancy (best to use a strategy for data collection) a successful SAD experiment often depends on high redundancy. Best Regards, Georg Am 30.08.2010

[ccp4bb] Format conversion of Shelx coordinate file

Dear All, What is currently the quickest/easiest way to convert a .hat file with fractional coordinates of heavy atoms generated by ShelxE to PDB format and/or a file format accepted by Sharp? I tried to use coordconv from ccp4, but it failed to make the conversion. Thank you.

Re: [ccp4bb] error running reduce/probe in WinCoot

I also got same error with some of PDB files I got today after refinement. I checked some of the files of same project it works there. I don't know the difference why its happening. I was trying to fix molprobity flags and refine them. Looking for suggestions Thanks Yogi

Re: [ccp4bb] About SAD phasing

no it's called SAD exactly for that reason .. it's SAD that somebody developed a phasing method that does not solve the phase problem! sorry, stupid joke ... google (at least) is our friend btw ale P please don't print this e-mail unless you really need to