DUMM2: Difference between revisions
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Revision as of 19:06, 9 July 2008
Attendees & Time
- John Irwin
- Sarah Boyce
- Peter Kolb
- ...
Date: July 09, 2008
Next DUM on ???
Hardware updates
Software updates
John: getrandom.pl program (and website) to select molecules randomly from ZINC. John: rebuildit2.pl to rebuild pre-cavitation ZINC entries. This is being hooked behind DOCK Blaster, upload, and subset web services.
Database updates
John: recently completed ZINC8 release, including a full export of many subsets. John: loaded lab molecules L99A binders, non-binders, etc. Still in beta - i.e. must be reviewed carefully. John: a database of natural products is available from the ZINC web site. 90K natural products or derivatives of natural products that are commercially available.