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Latest revision as of 12:11, 8 October 2012

Attendees & Time

  1. Oliv Eidam
  2. Sarah Boyce
  3. Rafaela Ferreira
  4. Gabe Rocklin
  5. Peter Kolb
  6. Pascal Wassam
  7. Hao Fan
  8. Matt Merski
  9. Yu Chen
  10. Denise Teotico
  11. Francesco Colizzi
  12. Michael Mysinger

Date: August 06, 2008, 4:00pm - 4:45pm

Next DUM on Sept 3, 2008

Hardware updates

Pascal: the write load on a disk even when the entire cluster is filled with DOCK jobs is negligible, i.e., it rarely happens that two jobs write to the same disk at the same time (cf. DUMM1).

Software updates

Oliv reports about a recent change in the docking workflow (when starting from startdockblaster5): tarted residues can now be found in the form of .prot2 files, which should be appended to amb.crg.oxt. Find more information here.


Database updates


Oliv reports how to obtain a VPN account for the UCSF network: get an account via http://oaais.ucsf.edu/OAAIS/service_catalog/networking/219-DSY.html (students already have one (email account), others need to apply for one with their employee ID and SSN). Afterwards, the VPN client can be run directly from the browser.
Peter: there is a page describing docking on the QB3 cluster.
All: how to find out about the current version of the docking environment? How can we make sure that dependencies in scripts don't get broken? Is there a way to maintain a certain flexibility in the docking scripts?
Michael/Peter have started to develop their own versions of some key scripts, how can these be made available to the other users?
Pascal: a CVS/SVN system could be set up in such a way that all users are automatically notified upon change or addition of a script.

Action Items

Pascal: think about a structure for a potential docking development environment.

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