News of 2025-09 Sep: Difference between revisions
Jump to navigation
Jump to search
m (asdf) |
|||
| Line 14: | Line 14: | ||
* 38% from H20 to H26, evenly spread over all layers and tranches. | * 38% from H20 to H26, evenly spread over all layers and tranches. | ||
* thus 100% of zinc-22?/H[01]?/H??[PM]???/[a-z]/*.db2.tgz. 100% | * thus 100% of zinc-22?/H[01]?/H??[PM]???/[a-z]/*.db2.tgz. 100% | ||
* 100% of zinc-22/H2[789]/ and zinc-22/H[34]?/ | * 100% of zinc-22/H2[789]/ and 100% of zinc-22/H[34]?/ | ||
* 38% of zinc-22?/H2[0-6]/H??[PM]???/[a-j]/*.db2.tgz. 38% | * 38% of zinc-22?/H2[0-6]/H??[PM]???/[a-j]/*.db2.tgz. 38% | ||
* Only on gimel: zinc-22?/H[234]?/H??[PM]???/[k-z]/*.db2.tgz. 62%. | * Only on gimel: zinc-22?/H[234]?/H??[PM]???/[k-z]/*.db2.tgz. 62%. | ||
* Footprint on Wynton of ZINC-22: about 1.2-1.3 PB. | * Footprint on Wynton of ZINC-22: about 1.2-1.3 PB. | ||
* Foot print on Gimel2 of ZINC-22: about 3.3 PB. (as of Sept 19, 2025) | * Foot print on Gimel2 of ZINC-22: about 3.3 PB. (as of Sept 19, 2025) | ||
* 100% of b, c (H30+) | |||
* 100% of bb, cc (zwitterions) | |||
This means: | This means: | ||
Revision as of 23:03, 23 September 2025
This is the news of September 2025.
- we are building H30-H33 P300-350 in zinc-22c.
- we have removed zinc-22n/H24 from Wynton to make space
- currently is [a-m] for all tranches in all layers, except zinc-22n where H24, H25, H26 are missing
- we are creating a new version of the 3d building pipeline that uses the Uppsala drop-in replacements for auxilliary programs.
- we are working on natural products (more soon)
Change coming by the end of September 2025
- to cover all tranches and layers evenly, we are changing what we load on Wynton.
- 100% to H19.
- 100% from H27 to H49
- 38% from H20 to H26, evenly spread over all layers and tranches.
- thus 100% of zinc-22?/H[01]?/H??[PM]???/[a-z]/*.db2.tgz. 100%
- 100% of zinc-22/H2[789]/ and 100% of zinc-22/H[34]?/
- 38% of zinc-22?/H2[0-6]/H??[PM]???/[a-j]/*.db2.tgz. 38%
- Only on gimel: zinc-22?/H[234]?/H??[PM]???/[k-z]/*.db2.tgz. 62%.
- Footprint on Wynton of ZINC-22: about 1.2-1.3 PB.
- Foot print on Gimel2 of ZINC-22: about 3.3 PB. (as of Sept 19, 2025)
- 100% of b, c (H30+)
- 100% of bb, cc (zwitterions)
This means:
- you can dock an even representative sample of ZINC-22 on Wynton.
- you can dock 100% of ZINC-22 up to H19.
- if you want to dock H20 or above, you must use gimel.
Thank you for reading. Please let your IT team know of any concerns.