DUMM2: Difference between revisions
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# Sarah Boyce | # Sarah Boyce | ||
# Peter Kolb | # Peter Kolb | ||
# | # Rafaela Ferreira | ||
# Alessandro Nascimento | |||
# Denise Teotico | |||
# Gabe Rocklin | |||
# Oliv Eidam | |||
# Hao Fan | |||
# Francesco Colizzi | |||
Date: July 09, 2008 | Date: July 09, 2008, 4:00pm-5:20pm | ||
'''Next DUM on | '''Next DUM on August 06, 2008 at 4pm''' | ||
== Hardware updates== | == Hardware updates== | ||
== Software updates == | == Software updates == | ||
=== getrandom.pl === | |||
''John:'' getrandom.pl program (and website) to select molecules randomly from ZINC. | ''John:'' getrandom.pl program (and website) to select molecules randomly from ZINC. | ||
===rebuildit2.pl=== | |||
''John:'' rebuildit2.pl to rebuild pre-cavitation ZINC entries. This is being hooked behind DOCK Blaster, upload, and subset web services. | ''John:'' rebuildit2.pl to rebuild pre-cavitation ZINC entries. This is being hooked behind DOCK Blaster, upload, and subset web services. | ||
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== Action Items == | == Action Items == | ||
[[Category:DUMM]] | |||
back to [[Dock_Users%27_Meeting_Minutes_%28DUMM%29]] | |||
Revision as of 03:56, 10 July 2008
Attendees & Time
- John Irwin
- Sarah Boyce
- Peter Kolb
- Rafaela Ferreira
- Alessandro Nascimento
- Denise Teotico
- Gabe Rocklin
- Oliv Eidam
- Hao Fan
- Francesco Colizzi
Date: July 09, 2008, 4:00pm-5:20pm
Next DUM on August 06, 2008 at 4pm
Hardware updates
Software updates
getrandom.pl
John: getrandom.pl program (and website) to select molecules randomly from ZINC.
rebuildit2.pl
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.