[ccp4bb] Extracting information from scale.log file

2007-09-10 Thread Mona N. Rahman
Hello all, There seems to be some confusion in our lab regarding which data to use when reporting diffraction data from the scale.log file of HKL2000. Specifically, we are wondering about total and unique reflections. What we have decided to use is the # observations (374747)from the scale.log f

[ccp4bb] Research Professor in Membrane Structural and Functional Biology, University of Limerick, Ireland

2007-09-10 Thread Martin.Caffrey
Research Professor in Membrane Structural and Functional Biology University of Limerick, Ireland The University of Limerick with over 11,500 students and 1,200 staff is a young, energetic and enterprising university with a proud record of innovation in education and excellence in research and s

[ccp4bb] Senior Crystallographer Position, University of Limerick, Ireland

2007-09-10 Thread Martin.Caffrey
Senior Research Fellow Membrane Structural and Functional Biology University of Limerick, Ireland The University of Limerick is inviting applications for the post of Senior Research Fellow in the Membrane Structural and Functional Biology Research Group. The major theme within the Group is st

[ccp4bb] Announcement: Fragment-based Lead Discovery Conference (FBLD2008)

2007-09-10 Thread John Badger
ActiveSight is holding a Fragment-based Lead Discovery Conference in San Diego, CA on February 18-20, 2008. This is a scientific meeting that will cover all aspects of fragment-based lead discovery, including x-ray crystallography, NMR surface plasmon resonance and calorimetry. Abstracts ar

[ccp4bb] Postdoc Position - Membrane Structural and Functional Biology, Limerick, Ireland

2007-09-10 Thread Martin.Caffrey
Postdoctoral Research Fellow Membrane Structural and Functional Biology University of Limerick, Ireland The University of Limerick would like to invite applications for the post of Research Fellow in the Membrane Structural and Functional Biology Research Group. The major theme within

Re: [ccp4bb] xplot84driver problems

2007-09-10 Thread Charles Ballard
Dear All the missing libifcore.dylib "found" by Derek, is indeed missing from the ccp4 binary distribution of mactel. This affects xplot84driver, xloggraph and xccpjiffy2idraw only. The problem with the .plt files has been traced to a lseek/rewind not working correctly. This has been w

Re: [ccp4bb] Dundee jobs

2007-09-10 Thread Magnus Alphey
University of Dundee College of Life Sciences Division of Biological Chemistry and Drug Discovery Research positions Enthusiastic and highly motivated individuals are sought to study key enzymes of microbial pathogens. In particular to advance fundamental understanding of biosynthesis and in

[ccp4bb] New versions of buccaneer and sequins...

2007-09-10 Thread Kevin Cowtan
I've released new versions of buccaneer (model building) and sequins (validation) today, with some fixes and new features: buccaneer 0.7.5 new features: Substantially improved sequencing algorithm. This uses a full sequence-alignment type calculation to get the best fit of the expected sequen

Re: [ccp4bb] display a map from a quantum chemical calculation

2007-09-10 Thread Stuart McNicholas
On 8 Sep 2007, at 17:01, William Scott wrote: Hi folks: Is there a simple way (or a standard format) that would enable me to display electron density calculated from a QM program and to compare it with experimental density? Thanks. Bill William G. Scott contact info: http://chemistry