News of 2025-04 Apr: Difference between revisions
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* setsgimel (about 45-50% of ZINC-22). Run this on gimel2. | * setsgimel (about 45-50% of ZINC-22). Run this on gimel2. | ||
* sets is what you would run if they were all on one machine. (they are, they are all on gimel2 and all on AWS, so you can run 100% of ZINC-22 in either of those two locations). | * sets is what you would run if they were all on one machine. (they are, they are all on gimel2 and all on AWS, so you can run 100% of ZINC-22 in either of those two locations). | ||
* 100% of anions are on Wynton | |||
* 100% of new tranches "f" and "j" are on Wynton. | |||
* 50% of other tranches are on wynton | |||
* I hope this is clear. | * I hope this is clear. | ||
Latest revision as of 14:35, 15 May 2025
- chemistry commons release
- ab3 release
- bioisosteres release
- DOCK 3.8.5 release, as of 4/15/25.
- >50% of mols now on Wynton again.
- [a-m] on Wynton. (13/26). correct as of 4/16/25
- sets, setsgimel, setswynton update around May 3, 2025.
- all [M] anions on Wynton
- all /a/ slices on Wynton. for rapid sample docking.
- to dock 100% of ZINC, you use
- setswynton (about 50-55% of ZINC-22) . run this on wynton
- setsgimel (about 45-50% of ZINC-22). Run this on gimel2.
- sets is what you would run if they were all on one machine. (they are, they are all on gimel2 and all on AWS, so you can run 100% of ZINC-22 in either of those two locations).
- 100% of anions are on Wynton
- 100% of new tranches "f" and "j" are on Wynton.
- 50% of other tranches are on wynton
- I hope this is clear.