CCP4 Annual developer's meeting

University of York, 28th-30th March 2006

Minutes of CCP4 Software Automation Developers' meeting

Available in Word

Minutes of general Developer's meeting

Available in Word

Aims of Meeting

The overall objective of the meeting should be seen in the context of the management plan for CCP4. It should provide a closer interaction between the Executive, Scientific Technical and Advisory Board and the staff employed on CCP4 contracts, and provide a forum for a general discussion between all CCP4 staff and associated developers. The STAB now cover all aspects of nthe activities, not only the automation developments.

The meeting is longer this year as in incorporates the STAB meeting organised by Tadeusz on the Tuesday afternoon and Wednesday morning.

The intention is to extract a set of goals and action points and to address any conflicts and weaknesses:

Overall the meeting aims to inform all participants of what the others are doing, leading to improved contacts between groups, improved team working and avoidance of duplication of effort.

 

Agenda: STAB meeting 28-29th

St Williamís College, beside York Minster

Scientific and Technical Advisory Board (STAB) members: Charlie Bond, Paul Emsley, Airlie McCoy and Tadeusz Skarzynski (Chairman).

Time

Topic

Session Leader

Tuesday 28th March

13:00

Welcome and Lunch

Tadeusz Skarzynski

14:00

Review of automation activities since the last meeting

Overview of new developments within CCP4. Charles Ballard

Working Groups Reports and discussion:

"Python Libraries and Wrappers". Charles Ballard

"Xml Definitions and Libraries". Martyn Winn

"Test Data Sets". Maria Turkenburg

"Model Generation". Charlie Bond

"CCP4i, database and automation." Wendy Yang, Peter Briggs

External activity update (Phenix). Airlie McCoy

Charles Ballard

16:30

Tea

 

17:00

Current directions in pipeline creation in CCP4

Molecular Replacement - Alexei Vagin/Garib Murshudov, Martyn Winn/Ronan Keegan/Norman Stein, Airlie McCoy

Experimental phasing, model building and structure completion - Paul Emsley/Kevin Cowtan

Discussion - all

 

18:30

END

 

19:30

Dinner, Bedern Hall Ė Bartle Garth, York

 

Wednesday 29th March

09:30

STAB general discussion & summary session

Evolution of the overall "vision". Garib Murshudov

Discussion and formulation of a new action plan (people, timelines, deliverables)

Tadeusz Skarzynski

 

Agenda: Review meeting 29-30th

St Williamís College, beside York Minster

Wednesday 29th March

12:00

Lunch for all participants

 

12:00

Closed Executive meeting

Keith Wilson

12:00

Closed STAB meeting

Tadeusz Skarzynski

12:30

Joint STAB and executive

TS/KSW

13:30

Session 1: Overview

13:30 Overview of CCP4: Keith Wilson

13:45 STAB meeting overview: T Skarzynski

14:00 Study weekend/Survey/Conferences/Site visits: M Howard

Tadeusz Skarzynski

14:15

Session 2: Core activities

Release/Documentation/New software/

Distribution of core team efforts/Staff involved

Review of 2005/6. Plans 2006/7

Summary of other Grants, e.g. BIOXHIT, e-htpx, PIMS: C Ballard

Charles Ballard

14:45

Data Collection, Processing and Diagnostics, DNA.

14:45 Overview: Phil Evans

14:55 Diamond & DNA: A Ashton

15:15 XIA. Graeme Winter

15:25 MOSFLM GUI. Geoff Battye

15:45 POINTLESS: Phil Evans

15:50 TRUNCATE: Norman Stein

15:55 Anomalous measurements: Gwyndaf Evans

Phil Evans

16:15

Tea

 

16:30

Experimental Phasing. Paul Emsley.

16:30 PHASER: Arlie McCoy

16:55 HAPPY: Dan Rolfe

17:20 PIRATE: Kevin Cowtan

Paul Emsley

17:30

Molecular Replacement

17:30 MrBUMP: Ronan Keegan

17:50 CHAINSAW: N. Stein

18:00 MMASS & MOLREP: Fei Long

18:20 PHASER: Airlie McCoy

Airlie McCoy

19:30

Dinner, Jaipur Spice Ė 103 Haxby Road, York

 

 

Agenda: Review meeting 29-30th

St Williamís College, beside York Minster

Thursday 30th March

09:00

Refinement.

9:00 REFMAC developments: Garib Mursudov

9:30 Twinning: Andrey Lebedev

9:45 Dictionary and Ligands: Garib Murshudov

Garib Murshudov

10:00

Building and Graphics

10:00 BUCCANEER: Kevin Cowtan

10:15 COOT: Paul Emsley

10:30 CCP4mg: Stuart McNicholas

10:45 PISA: E Krissenel

11:00 ACORN: KSW/Yao

Kevin Cowtan

11:05

Coffee

 

11:15

CCP4i

11:15 Peter Briggs

Peter Briggs

11:45

PIMS

11:45 The PIMS project: Rob Esnouf

PIMS developments and plans: Chris Morris

EBI: Kim Henrik

Someone from SPORT?

Rob Esnouf

12:15

e-HTPX

12:15 Overview: Martyn Winn

12:30 Crystals and synchrotrons: Paul Young

12:40 Robots etc.: Rob Esnouf

12:50 e-HTPX and Diamond: Alun Ashton

Martyn Winn

13:00

Lunch

 

13:00

Executive & STAB closed sessions in parallel

 

14:00

Final Discussion

Annual report: J. Naismith

Future plans & Strategy Statement by Tadeusz

General discussion. An agenda will be agreed at the meeting.

Dates of next meetings: Exec/Annual/WG2/Developers

Keith Wilson

15:30

Close

 

 

List of participants

Name

Location

Funding

CCP4 Project

E.mail Address

28th

29th

30th

Armour, Wesley

Diamond

Diamond

 

wes.armour@diamond.ac.uk

 

Ashton, Alun

Diamond

Diamond

 

alun.ashton@diamond.ac.uk

 

Ballard, Charles

DL

CCP4 Industry

Core programmer

c.c.ballard@dl.ac.uk

Battye, Geoff

MRC Cambr.

CCP4 Industry

MOSFLM GUI

geoff@mrc-lmb.cam.ac.uk

 

Bond, Charlie

Dundee

Dundee

 

C.S.Bond@dundee.ac.uk

Briggs, Peter

DL

CCP4 Industry

Core programmer

p.j.briggs@dl.ac.uk

Cowtan, Kevin

York

Royal Society Fellowship

 

cowtan@ysbl.york.ac.uk

Emsley, Paul

York

BBSRC postdoc.

 

emsley@ysbl.york.ac.uk

Esnouf, Robert

Oxford

Oxford

PIMS

robert@strubi.ox.ac.uk

   

Evans, Gwyndaf

Diamond

Diamond

 

gwyndaf.evans@diamond.ac.uk

 

Evans, Phil

LMB Cambr

MRC Staff

 

pre@mrc-lmb.cam.ac.uk

 

Foadi, James

York

Postdoc

 

foadi@ysbl.york.ac.uk

 

Furnham, Nick

Cambridge

BBSRC

 

ndf20@mole.bio.cam.ac.uk

Griffiths, Susy

York

PIMS

LIMS

susy@ysbl.york.ac.uk

     

Howard M

DL

CCP4 Grant

Administration

m.e.howard@dl.ac.uk

 

Keegan, Ronan

DL

e-htpx grant

 

R.M.Keegan@dl.ac.uk

Krissinel, Eugene

EBI

CCP4 Grant

Coordinates etc.

keb@ebi.ac.uk

 

Lebedev, Andrey

York

BBSRC postdoc.

 

lebedev@ysbl.york.ac.uk

Lin, Bill

DL

CCP4 PIMS

 

Bill.Lin@dl.ac.uk

 

Long, Fei

York

BIOXHIT

REFMAC

fei@ysbl.york.ac.uk

McCoy, Airlie

U Cambridge

Cambridge

 

ajm201@cam.ac.uk

McNicholas, Stuart

York

CCP4 Industry

Molecular graphics

mcnicholas@ysbl.york.ac.uk

 

Morris, Chris

DL

CCP4 Industry

LIMS

C.Morris@dl.ac.uk

 

Murshudov, Garib

York

Wellcome Fellowship

 

garib@ysbl.york.ac.uk

Naismith, James

St. Andrews

Dundee

 

naismith@st-and.ac.uk

   

Noble, Martin

Univ. Oxford

Oxford

 

martin.noble@biop.ox.ac.uk

Powell, Harry

LMB Cambr

CCP4 Grant

MOSFLM

harry@mrc-lmb.cam.ac.uk

 

Remacle, Francois

Daresbury

CCP4 Industry

Core

fr45@dl.ac.uk

Rolfe, Daniel

Daresbury

CCP4 Industry

Automation

d.j.rolfe@dl.ac.uk

Skarzynski, Tadeusz

GSK

GSK

STAB

tadeusz.j.skarzynski@gsk.com

Stein, Norman

Daresbury

CCP4 Industry

Automation

n.d.stein@dl.ac.uk

Turkenburg, Maria

York

CCP4 Industry

Automation

mgwt@ysbl.york.ac.uk

Vagin, Alexei

York

BBSRC postdoc.

 

alexei@ysbl.york.ac.uk

Wilson, Keith

York

York

 

keith@ysbl.york.ac.uk

Winn, Martyn

DL

CCP4 Grant

Core programmer

m.d.winn@dl.ac.uk

Winter, Graeme

DL

e-htpx

 

G.Winter@dl.ac.uk

 

 

Yang, Wanjuan

 

CCP4 BIOXHIT

 

w.yang@dl.ac.uk

Yao Jia-Xing

York

CCP4 Industry

 

yao@ysbl.york.ac.uk