Molecular Modelling: Tools, GUIs and Visualisation
Delamere Suite, Holiday Inn, Runcorn.
| Time |
Tues 11th March |
Weds 12th March |
Thurs 13th March |
Time |
| 09:30-09:45 |
|
The CCP1GUI - Jens Thomas |
cclib, Pybel, GaussSum & CCDC - Noel O'Boyle |
09:30-09:45 |
| 09:45-10:00 |
09:45-10:00 |
| 10:00-10:15 |
10:00-10:15 |
| 10:15-10:30 |
OpenBabel - Chris Morley |
AgentX and Data Exchange - Phil Couch |
10:15-10:30 |
| 10:30-10:45 |
10:30-10:45 |
| 10:45-11:00 |
10:45-11:00 |
| 11:00-11:15 |
Tea/Coffee (Cheshire Foyer) |
Tea/Coffee (Cheshire Foyer) |
11:00-11:15 |
| 11:15-11:30 |
11:15-11:30 |
| 11:30-11:45 |
Avogadro - Marcus Hanwell/Donald Curtis |
Discussion/Wrap up |
11:30-11:45 |
| 11:45-12:00 |
11:45-12:00 |
| 12:00-12:15 |
12:00-12:15 |
| 12:15-12:30 |
Chemistry visualization research themes at CSCS (Molekel) - Mario Valle |
12:15-12:30 |
| 12:30-12:45 |
Lunch (Traders Restaurant) |
12:30-12:45 |
| 12:45-13:00 |
12:45-13:00 |
| 13:00-13:15 |
Registration (Cheshire Foyer) |
Lunch (Traders Restaurant) |
13:00-13:15 |
| 13:15-13:30 |
13:15-13:30 |
| 13:30-13:45 |
Bus or Taxis To Daresbury |
13:30-13:45 |
| 13:45-14:00 |
13:45-14:00 |
| 14:00-14:15 |
Welcome - Jens Thomas |
Molpro GUI - Peter Knowles/David Zorilla |
Tutorials/Practicals at Daresbury |
14:00-14:15 |
| 14:15-14:30 |
ChemViz at CSCS: users, projects and tools - Mario Valle |
14:15-14:30 |
| 14:30-14:45 |
14:30-14:45 |
| 14:45-15:00 |
Jmol - Angel Herraez |
14:45-15:00 |
| 15:00-15:15 |
"GUIs: what's in it for me" - Jan Jensen |
15:00-15:15 |
| 15:15-15:30 |
15:15-15:30 |
| 15:30-15:45 |
Tea/Coffee (Cheshire Foyer) |
15:30-15:45 |
| 15:45-16:00 |
Tea/Coffee (Cheshire Foyer) |
15:45-16:00 |
| 16:00-16:15 |
Zeobuilder - Toon Verstraelen |
16:00-16:15 |
| 16:15-16:30 |
QM code developer presentations - Peter Knowles, Jan
Jensen, Huub van Dam |
16:15-16:30 |
| 16:30-16:45 |
16:30-16:45 |
| 16:45-17:00 |
Aten - Tris Youngs |
16:45-17:00 |
| 17:00-17:15 |
Discussion of the requirements for GUIs & tools
suggested by the preceding presentations - chaired by Paul
Sherwood |
17:00-17:15 |
| 17:15-17:30 |
17:15-17:30 |
| 17:30-17:45 |
|
17:30-17:45 |
| 17:45-18:00 |
17:45-18:00 |
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