Re: [ccp4bb] correlated alternate confs - validation?

2014-07-25 Thread Mark Wilson
As an additional comment on the issue of spatially correlated disorder, SHELX (and possibly other programs) has an elegant way of handling bump generation between disordered atoms. SHELX will only generate a bump if two atoms are in van der Waals conflict AND their occupancies sum to 1.1 or greate

[ccp4bb] New “Association of Resources for Biophysical Research in Europe” (ARBRE)

2014-07-25 Thread Robert Gilbert
The recently created Association of Resources for Biophysical Research in Europe (ARBRE) is an open pan-European network which aims to bring together academic and industrial research infrastructures, core facilities and resource labs that provide access to biophysical instrumentation and experti

Re: [ccp4bb] rigaku micromax 007 cooling

2014-07-25 Thread Andreas Förster
Thanks to all who replied. I was a bit unclear. We don't have house water cool the anode directly. A Haskris WW1 water/water exchanger mediates that. Problem is that this overheats, presumably when the house water supply is cut because of a pump failure in the building. Things seem clean o

[ccp4bb] Postdoctoral Position at EMBL in Heidelberg - Mechanism and Regulation of Genome Rearrangements

2014-07-25 Thread Orsolya Barabas
Dear CCP4bb members, A fully funded postdoctoral position is available in the Barabas Group at the Structural and Computational Biology Unit, European Molecular Biology Laboratory (EMBL) in Heidelberg. EMBL is a world leading international research organization pursuing interdisciplinary resear

Re: [ccp4bb] hi - history of protein crystallization (should be : conversion of euler angles)

2014-07-25 Thread Alexandre OURJOUMTSEV
Dear Vijay Sorry for further troubles with the program. Could you send me (in a PRIVATE mail, out of CCP4bb) the tcl file that you prepared using my template ? With best wishes, Sacha Urzhumtsev De : CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] De la part de vijay srivastava Envoyé : v

Re: [ccp4bb] hi - history of protein crystallization

2014-07-25 Thread vijay srivastava
Dear Dr. Sacha, it is giving following error after typing the command global: Command not found. wm: Command not found. set: Variable name must begin with a letter.   Vijay On Thursday, 24 July 2014 4:21 PM, Raghurama P Hegde wrote: Hi Sanjit,   These two reviews throw some light o

Re: [ccp4bb] correlated alternate confs - validation?

2014-07-25 Thread Thomas Lütteke
Just a quick thought that might be a workaround solution within the PDB format restrictions: In NMR structures there are often multiple conformations stored in different MODEL sections - this should in principle be possible for x-ray structures as well, shouldn't it? Of course this is a waste o