CCP4 Working Group 2 meeting

University of York, York
Wednesday 28 June 2006, 11:30 am

					
Present:
Phil Evans  - Chairperson (MRC LMB), David Robinson (Vernalis R&D,
Cambridge), Karen McKlusky (Glasgow), Martyn Winn (Daresbury), Keith
Wilson (York), Kevin Cowtan (York), Garib Murshudov (York), Frank von
Delft (Oxford), Jan White (Sheffield), Paul Emsley (York), Ian Tickle
(Astex), Charles Ballard (Daresbury), Eugene Krissinel (EBI), Peter
Briggs (Daresbury), Thomas Edwards (Leeds)


Minutes of previous WG2 meeting and matters arising

There were no matters arising.



Study Weekend 2007

Maeri discussed the variable pricing structure to encourage early
registrations. Payment can't currently pay in cash (because of closure
of the Cash Office) or credit card on the day therefore, payment is
limited to cheque payments or credit card on paper form. Alternatives
would be PayPal which is still being tested by the Finance Department
and was not available for general yet . JW has requested a bar in the
hotel be open after dinner which Maeri will confirm is possible.

FvD and GM went through draft programme. Both confirmed that they want
it to be instructional for new students. It was suggested that Robert
Schwarzenbacher speak on trimming as well as alignment, but he's down
for JCSG.  It was also suggested that there be talks on both arp/warp
and resolve. There was also discussion on a case study on whether we
can now solve by MR that used to solve by experimental phasing. Also a
talk on MrBUMP was confirmed.  

The sessions were discussed and were listed as follows:
Session 1: Implementations
Session 2: Model generation
Session 3: solution validation and model completion
Session 4: close relatives to MR
Session 5: Case studies
Session 6: MR pipelines.

Additional Meetings 

CCP4 will be attending a variety of workshops over the next few months
and there was discussion as to when these were, what it entailed
(conference/workshop) and who was scheduled to attend.

The list included:

American Crystallographic Association - Hawaii, July (stand)
Chinese Chrystallography Workshop - Beijing, October (workshop)
ECM - Brussels, August (stand)
ISGO workshop in Japan - November (workshop)

There was also mention of the individual visits that have taken place
at Manchester, Nottingham, London, Edinburgh and Glasgow. Further
visits will take place starting after September. 

Update on 6.0.1 release

MDW summarised release of 6.0.1 on 7th June 2006. There will be a
6.0.2, probably in September or October. However, packages such as
Coot and CCP4mg will be updated to keep them in line with the author
releases. The package-based download system makes this simple. There
will also be a pre-release page from where software such as pointless
and buccaneer will be distributed, pending full incorporation into
CCP4. Updates to packages and additions to the pre-release site will
be announced on ccp4BB.

Next meeting date

Next meeting will be Wednesday 31st January at Daresbury.

The meeting after that is scheduled for Birkbeck on the 27th of June
2007.

Extended talk by Kevin Cowtan

In the afternoon, Kevin Cowtan gave an overview of his latest
software, in particular Pirate and Buccaneer. Buccaneer is built on
version 2.0 of the Clipper libraries, which is not yet in the CCP4
suite.

AOB

There is to be an additional CCP4 STAB Working Party for data
processing. Keith is to approach Andrew and Phil about this.

There was a discussion about Sketcher. There is a general feeling that
it is not easy to use. Liz explained that this is partly because it
was designed for a 2-button mouse, and for 2D building. Tadeusz
suggested that much of the functionality doesn't need a graphical
viewer, but rather scripts for running libcheck. In the end, it was
not clear exactly what needed to be improved. Maria will try extract
specific requirements from users.

Kevin said that we need a replacement for F2MTZ. This could maybe be a
GUI for iotbx. We should cater explicitly for input formats such as
FCF, HKL, CIF.