Schedule

The proposed schedule:

Thursday March 26 2009

12.30-13.30: Arrival and lunch.
13.30-15.00: First set of four partner presentations (15+5 min each).
15.00-15.15: Tea break.
15.15-16.45: Second set of four partner presentations (15+5 min each).
16.45-17.15: Discussion about DVD.
17.15-18.00: Demo install, optional excursion to the NMR.
18.00-19.00: Transfer to Hotel Atlanta, check in.
~19.30: Dinner at Hotel Atlanta.

Friday March 27 2009

8.45- 9.00: Arrival.
9.00- 9.15: Welcome to EU representatives, introduction to the pipeline.
9.15-11.15: Demo of the extendNMR pipeline.
11.15-11.30: Coffee break.
11.30-12.30: Comments from Bernard Mulligan (our EU programme manager) and reporting requirements. Discussion of the future.
12.30-13.30: Lunch and departure.

Possible running order on Thursday

(this assumes someone from the EU is there)

Introduction (5 min)
Ernest Laue

TOPSPIN (15+5 min)
Peter Rene-Steiner

MDD (15+5 min)

Vladislav Orekhov

PRODECOMP (15+5 min)
Martin Billeter

Analysis and Format Converter (15+5 min)

Wayne Boucher

ARIA and ISD (15+5 min)
???

HADDOCK (15+5 min)
Alexandre Bonvin

Auremol (15+5 min)
Hans Robert Kalbitzer

CING (15+5 min)
Geerten Vuister

Deposition (15+5 min)
Wim Vranken

Possible running order on Friday

(this might need re-arranging dependent on computers used)

Bruker (10 min)
TOPSPIN, data export to CCPN, launch ExtendNMR GUI. Show experiment in CCPN easily imported from Bruker (2D HSQC).
Peter Rene-Steiner and Wayne Boucher

MDD (10 min)
Live Demo? Import data to CCPN (USF3) and show results as reconstructed spectra in Analysis.
Vladislav Orekhov and Wayne Boucher

PRODECOMP (10 min)
Live demo. Run from CCPN, using existing peaks to define intervals. Look at results in PRODECOMP shape viewer.
Tim Stevens

Kalbitzer group (10 min)
Peak picker. Display results in Analysis.
Konrad Brunner and Wayne Boucher

ARIA and ISD (10 min)
Launch programs from Extend-NMR GUI. Show program-specific interfaces. Show results back in Analysis.
Tim Stevens

HADDOCK (10 min)
Launch from ExtendNMR GUI. Haddock server and web site. Show results.
Marc van Dijk

CING (10 min)
Submit data from ExtendNMR GUI. Show results in HTML. Import per-residue validation data back and view them on structures in Analysis, comparing ARIA and HADDOCK on protein-DNA complex, and ARIA and ISD on a single protein domain.
Jurgen Doreleijer

Deposition (10 min)
Prepare deposition with ECI, launch from ExtendNMR GHI, and go through deposition process (ADIT, Autodep).
Chris Penkett

Format Converter (5 min)
Demonstration of web interface.
Chris Spronk