[ccp4bb] Cross-validation when test set is miniscule

2014-12-19 Thread dusan turk
Dear Derek, I suggest you not not use the cross validation at all. With small data sets the refinement with cross validation is very unstable and the choice of the TEST set dependent. We explained why and suggested to use an alternative function, which can use all data in refinement. Acta Crys

[ccp4bb] WCPCW timelines

2014-12-19 Thread Nathan Henderson
Reposted here on behalf of the organizing committee: All, Please note our updated timelines: October 20, 2015: Standard Registration opens January 20, 2015: Standard Registration closes January 21, 2015: Late Registration opens (accommodations cannot be guaranteed) January 23, 2015: Deadline for

[ccp4bb] WCPCW registration and deadline

2014-12-19 Thread Nathan Henderson
Reposted here on behalf of the organizing committee: Dear Potential Attendees of the 2015 West Coast Protein Crystallography Workshop, To register for the 22nd WCPCW (March 15 - 18, 2015, Monterey, CA), please visit: http://www.wcpcw2015.info/registration--2.html Standard registration will clos

[ccp4bb] Announcement - 5th Winter School on Soft X-rays in Macromolecular Crystallography

2014-12-19 Thread Bi-Cheng Wang
Sent on behalf of the Organizing Committee: John Rose, Manfred Weiss, Christoph Mueller-Dieckmann and B.C. WangThe 5th Winter School on Soft X-Rays in Macromolecular Crystallography Location: Georgia Center, The University of Georgia, Athens, Georgia, USA 30602 Dates: March 1 - 4, 2015The 5th Winte

[ccp4bb] Postdoctoral Fellow Position – Structural Biology at Rutgers University School of Dental Medicine

2014-12-19 Thread Vijay Parashar
A postdoctoral position is available immediately in the Department of Oral Biology Rutgers School of Dental Medicine for a highly motivated, creative individual with strong interest in the structure and function of proteins regulating bacterial signaling. The ideal candidate will have a strong

[ccp4bb] XDS and XDSGUI latest versions

2014-12-19 Thread Kay Diederichs
Hi everybody, pls note that the XDS version that you might have installed a year ago will expire on Dec 31, and there's a new version at http://xds.mpimf-heidelberg.mpg.de/ . The changes are: support for Eiger, support for XZ compressed files, and assorted small fixes. The XDS documentation is st

[ccp4bb] Cross-validation when test set is miniscule

2014-12-19 Thread Derek Logan
Hi everyone, Right now we have one of those very difficult Rfree situations where it's impossible to generate a single meaningful Rfree set. Since we're in a bit of a hurry with this structure it would be good if someone could point me in the right direction. We have crystals with 1542 non-H at

Re: [ccp4bb] CCP4 Release 6.5

2014-12-19 Thread Eugene Krissinel
> Does this mean I need to download the installation package from the CCP4 - yes > and is this why the update tool in 6.4.0 is not showing up the latest release? - no, this must be something different > Should I install into the current 6.4.0 directory or a new one? - some CCP4 components rely