DUMM2: Difference between revisions
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== Attendees & Time== | == Attendees & Time== | ||
# John Irwin | |||
# Sarah Boyce | |||
# Peter Kolb | |||
# ... | |||
Date: July 09, 2008 | Date: July 09, 2008 | ||
| Line 8: | Line 11: | ||
== Hardware updates== | == Hardware updates== | ||
==Software 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. | |||
===Requests/Improvements=== | ===Requests/Improvements=== | ||
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.