[ccp4bb] PhD (DPhil) place available: Marie Curie Action

2013-07-05 Thread Elspeth Garman
PhD (DPhil) place still available: Marie Curie Action DPhil in Biochemistry at the University of Oxford in association with Molecular Dimensions Ltd. New Approaches to Membrane Protein Structural Biology using Micro-focus X-ray beams X-ray Free Electron Laser based Serial Femtosecond

[ccp4bb] XDSGUI

2013-07-05 Thread Kay Diederichs
Dear XDSGUI users, new XDSGUI binaries with new functionality and bugfixes may be downloaded; the download links are in the XDSGUI article (which has been improved over the last weeks) in XDSwiki. Being an acronym, the name of the program has now been decided to be XDSGUI; on the

Re: [ccp4bb] XDS not picking spots correctly, please help!

2013-07-05 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Fei, are you familiar with the small molecules section at the XDS wiki at http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Small_molecules ? If you see many warning messages during the INTEGRATE step of unstable refinement, the too

[ccp4bb] Fwd: [ccp4bb] is there any version of xia2 or XDSME compatible with new XDS?

2013-07-05 Thread Graeme Winter
Dear Rain Field, A new xia2 release is now available please see: http://xia2.blogspot.com for details. This version should be included in the next CCP4 update. Once again apologies for the inconvenience. Best wishes, Graeme On 4 July 2013 08:18, Graeme Winter graeme.win...@gmail.com wrote:

[ccp4bb] off topic

2013-07-05 Thread Careina Edgooms
Just a quick question, does anybody know if ethidium bromide binds to poly(dI-dC)? Careina

Re: [ccp4bb] R too low?

2013-07-05 Thread Eleanor Dodson
You have obviously solved this problem, but one thing that can change apparent Rfactors is the number of reflections accepted.. If one gives you 5% more very weak reflections say, then those will inevitably have high Rfactors and this can increase the apparent Rfactor without changing the map

Re: [ccp4bb] pseudotranslation issues

2013-07-05 Thread Eleanor Dodson
With that translational vector the data set is approximately I centred. If you integrate it in I centred lattice then you must consider space groups I 4 or I41. In point P4 you might need to consider SGs P4, P41, P42, P43 Eleanor On 1 July 2013 11:19, rajakumara eerappa reera...@gmail.com

Re: [ccp4bb] off topic

2013-07-05 Thread Raji Edayathumangalam
Hi Careina, Yes it does. I have run ethidium bromide-containing agarose gels of samples containing poly(dI-dC) and they light up under UV, just like any other regular DNA does on agarose gels. Cheers, Raji On Fri, Jul 5, 2013 at 9:11 AM, Careina Edgooms careinaedgo...@yahoo.comwrote: Just a

[ccp4bb] ccp4i to shelxcde path error

2013-07-05 Thread Jayashankar
Dear all, I have a strange behavior of the ccp4 interface. I have a shortcut icon for my ccp4i on my windows7 desktop, when I open it and try to open the shelxcde module in the program list it complains about the missing path for the shelx. But, but, when I go to the installation directory

Re: [ccp4bb] ccp4i to shelxcde path error

2013-07-05 Thread Edward A. Berry
Right-click on the shortcut on your desktop, select properties, and see what folder it has for start in. Try changing it to C:/CCP4/6.3/bin/ if it is not. Or add that folder to your path. Perhaps windows has a notion of current directory and includes that in the search path, and when you start

Re: [ccp4bb] HKL2000 sigma cutoff

2013-07-05 Thread Phil Jeffrey
Ursula, I/sigI of -3 as I recall. Are you sure that the downstream programs you are using aren't the ones applying the cutoff ? Scalepack is, in general, perfectly happy to write negative intensities to output.sca and certainly is doing so as of HKL3000. Perhaps you need to use the

Re: [ccp4bb] HKL2000 sigma cutoff

2013-07-05 Thread Ursula Schulze-Gahmen
Well, the output.sca file contains only 64000 lines ( reflections) while the logfile lists ~ 73000 reflections, corresponding to about 100% completeness. So I don't understand why only 64000 are written out. The sigma cutoff was just a guess, but may not be the reason. Ursula On 7/5/13, Phil

Re: [ccp4bb] HKL2000 sigma cutoff

2013-07-05 Thread Ursula Schulze-Gahmen
I found a fix, but not an explanation. I scaled the same data with scalepack and had no problem with loosing reflections. I am not sure what happened in HKL2000. Ursula On Fri, Jul 5, 2013 at 12:38 PM, Phil Jeffrey pjeff...@princeton.eduwrote: Ursula, I/sigI of -3 as I recall. Are you sure

[ccp4bb] Self rotation function and translation peak

2013-07-05 Thread Faisal Tarique
*Dear All *In case we have more than one molecule per asymmetric unit, how to look for the results of the self-rotation function calculation and translation peak in the native patterson. -- Regards Faisal School of Life Sciences JNU

[ccp4bb] view SA omit map generated by Phenix in Coot

2013-07-05 Thread Wei Shi
Hi guys, I was trying to view the simulated annealing omit map generated by Phenix in Coot. When I opened resolve_composite_map.mtz and *_ed.pdb in Coot, I could only see one monomer of the protein. It should be two dimers of the protein plus two pieces of DNA. And when I opened the *_ed.pdb in