News from CCP4: Autumn 2002
Charles Ballard, Martyn Winn, Alun Ashton, Peter Briggs, Maeri Howard Eales, Pryank Patel
News from CCP4: Autumn 2002Charles Ballard, Martyn Winn, Alun Ashton, Peter Briggs, Maeri Howard Eales, Pryank Patel |
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News Contents:
The 2003 CCP4 study weekend is
on "Experimental Phasing"
and takes place on the 3rd and
4th of January at York University.
The scientific organisers are Neil McDonald (Cancer Research UK) and Airlie McCoy (Cambridge, UK).
Again CCP4 will be running the highly regarded “Introduction to CCP4” mini-workshop
on the Friday morning 9-10:30. The topics to be covered will include
Also, there will be a Protein Crystallography Specialist Users Group
meeting
on the Thursday afternoon, starting at 14:30.
The Proceeedings of the 2002 CCP4 Study Weekend on "High-throughput Structure
Determination" are available in
Acta Crystallographica Section D Volume 58, Part 11 (November 2002).
The CCP4 conference roadshow for 2002 had stands at the XIX Congress
and General Assembly of the IUCr in Geneva, Switzerland, and at the
American Crystallographic Association annual
meeting in San Antonio, Texas.
Prior to the ACA an “Introduction to CCP4”
one-day workshop was held. This was a great success, being attended by more than
80 people. CCP4 would like to extend it's thanks to the speakers, Harry Powell,
Roberto Steiner and our own Alun Ashton. Following this success there will
be a one-day workshop on July 26thorganised in
conjunction with the 2003 Annual Meeting of the ACA at Cincinnati, July 26-31.
The package distributed by CCP4 includes programs for all aspects of
protein crystallography up to the model building stage. Following a
short introduction to the suite, this workshop will concentrate on
integration and scaling datasets with Mosflm and SCALA. Basic
processing of routine datasets will be followed by detailed analysis
of the programs' output and treatment of more demanding
experiments. While new users of the programs may benefit, this is
aimed at protein crystallographers with some experience of data
processing who may want to develop their skill in using these
programs. There will be presentations by CCP4 staff and developers as
well as the opportunity for informal group discussions during the
workshop.
On April 30 CCP4 release version 4.2 of the suite. This release
included the follwing new applications:
Updates to the graphical user interface CCP4i:
Other highlights in 4.2 include:
Plus many, many minor changes....
More recently version 4.2.1 was released on July 15 and 4.2.2 on November 25. Binaries are available for IRIX, linux (intel), OSF, SunOS, Mac OSX and
Windows.
Graeme Winter, who previously worked on the updating of the Mosflm GUI and
server, has joined Daresbury Laboratory as part of the e-HTPX project. His
brief is to work on the automation of protein structural solution.
The aim of the e-HTPX project is to unify the procedures of protein
structure determination into a single all encompassing interface from which
users can initiate, plan, direct and document their experiment either
locally or remotely from a desktop computer. More information is
available at www.e-htpx.ac.uk.
Gérard Bricogne(Global Phasing, UK)
Ditlev Brodersen (MRC, UK)
Zbigniew Dauter (Brookhaven, USA)
Phil Evans(MRC, UK)
Eleanor Dodson(York, UK)
Gwyndaf Evans(Global Phasing, UK)
Joe Ferrara (Rigaku/Molecular Structure Corp,USA)
Elspeth Garman (Oxford, UK)
Ana González (Stanford, USA)
Ralf Grosse-Kuntsleve (Berkeley)
Simon Parsons,(Edinburgh, UK)
Michael Quillin (Oregon, USA)
Raimond Ravelli (EMBL, France)
Randy Read (MRC, UK)
Gabby Rudenko (Texas, USA)
Thomas Schneider (Göttingen, Germany)
Bi-Cheng Wang (Georgia, USA)
2. Workshops and Conferences
In August CCP4 staff Charles Ballard and Peter Briggs along with MOSFLM
expert Harry Powell (now a regular fixture at these events) travelled to
the beautiful city of Geneva for the XIX IUCr congress. As usual we
manned the CCP4 stand in the commercial exhibition and offered demos and
tutorials of the software to an unsuspecting public. (We were also
pleased to see the ab initio phasing program ACORN getting plenty of
exposure, both in Michael Wolfson's opening lecture and Yao Jia-xing's
talk in the scientific sessions.) We enjoyed the conference and the city
(especially its amazingly efficient public transport!) and we'd like to
thank all those people who took the time to come and talk to us - it's
always a pleasure to meet our users face-to-face and hear your
comments. CCP4 staff with the PDB at Geneva Data processing and scaling with Mosflm and CCP4
ACA Annual Meeting, Cincinnati, 26 July, Organiser Harry Powell
3. Release of CCP4 4.2
plus others.... Also new versions of REFMAC5 (5.1.19), MOSFLM (6.2.1),
DYNDOM(1.2), FFFEAR(1.9), MOLREP(7.3) and SCALA (3.1.4).
4. Other news
Newsletter contents...