News of 2021-12 Dec - Revision history

Frodo: Frodo moved page ZINC-22 news of Jan-22 to News of 2021-12 Dec

2024-11-22T16:24:52Z

Frodo moved page ZINC-22 news of Jan-22 to News of 2021-12 Dec

← Older revision

Revision as of 16:24, 22 November 2024

Frodo: asdf

2024-05-23T16:24:44Z

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← Older revision		Revision as of 16:24, 23 May 2024
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	We continue to have a huge backlog of correctly built 3D molecules that we are trying to format for docking.		We continue to have a huge backlog of correctly built 3D molecules that we are trying to format for docking.

	[[Category:~~ZINC-22-news~~]]		[[Category:News]]

Frodo: asd

2022-02-02T17:10:26Z

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← Older revision		Revision as of 17:10, 2 February 2022
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	We really did not want to do this, but here we are. All other options were worse.		We really did not want to do this, but here we are. All other options were worse.

	* 2. We have rebuilt ZINC20 in ZINC-22 aka /zinc-22g/		* 2. We have rebuilt ZINC20 in stock in ZINC-22 aka /zinc-22g/.

	* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code. [[ZINC-22:One time rearrangement Jan 25 2022]]		* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code.
			[[ZINC-22:One time rearrangement Jan 25 2022]]. This was completed on Feb 1, 2022.

	* 4. We have had a setback. We discovered a book keeping problem that is being fixed (as of Jan 31), but means we will lose about 200 M 3D molecules. We regret this error.		* 4. We have had a setback. We discovered a book keeping problem that is being fixed (as of Jan 31), but means we will lose about 200 M 3D molecules. We regret this error (obviously) and are working hard to make up for lost time.

	* 5. Consequently, ZINC-22 is still at around 3.5 billion and has not moved much during January.		* 5. Consequently, ZINC-22 is still at around 3.5 billion and has not moved much during January.
	We have a huge backlog that we are trying to ~~clear~~.		We continue to have a huge backlog of correctly built 3D molecules that we are trying to format for docking.

	[[Category:ZINC-22-news]]		[[Category:ZINC-22-news]]

Frodo: asdf

2022-02-02T17:08:26Z

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← Older revision		Revision as of 17:08, 2 February 2022
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	We really did not want to do this, but here we are. All other options were worse.		We really did not want to do this, but here we are. All other options were worse.

	* 2. We have rebuilt ZINC20 in ZINC-22 aka /zinc-22g/~~. It is being installed right now (we are on H12 going to H29 by end of day).~~		* 2. We have rebuilt ZINC20 in ZINC-22 aka /zinc-22g/
	~~New faster and more reliable tools are arriving soon, later this month, we hope.~~

	* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code. [[ZINC-22:One time rearrangement Jan 25 2022]]		* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code. [[ZINC-22:One time rearrangement Jan 25 2022]]

Frodo: asd

2022-02-01T17:31:35Z

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← Older revision		Revision as of 17:31, 1 February 2022
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	We are making a lot of progress with ZINC-22, but there are some things you need to be aware of. These are described in this wiki page: [~~https://wiki.docking.org/index.php/~~ZINC-~~22_Clean_Up_in_Jan_2022~~]		We are making a lot of progress with ZINC-22, but there are some things you need to be aware of. These are described in this wiki page: [[ZINC-22 Clean Up in Jan 2022]]

	* 1. About 47.5 M 3D molecules were deleted. This was because of a book keeping problem that was too expensive to fix. If you docked and picked from these 47.5 M compounds, you will still be able to buy them, but they won't look up correctly in cartblanche22. These molecules will be rebuilt, but will have different numbers.		* 1. About 47.5 M 3D molecules were deleted. This was because of a book keeping problem that was too expensive to fix. If you docked and picked from these 47.5 M compounds, you will still be able to buy them, but they won't look up correctly in cartblanche22. These molecules will be rebuilt, but will have different numbers.

Frodo: asdf

2022-02-01T17:29:45Z

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← Older revision		Revision as of 17:29, 1 February 2022
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	New faster and more reliable tools are arriving soon, later this month, we hope.		New faster and more reliable tools are arriving soon, later this month, we hope.

	* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code. [[~~ZINC22~~:One time rearrangement Jan 25 2022]]		* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code. [[ZINC-22:One time rearrangement Jan 25 2022]]

	* 4. We have had a setback. We discovered a book keeping problem that is being fixed (as of Jan 31), but means we will lose about 200 M 3D molecules. We regret this error.		* 4. We have had a setback. We discovered a book keeping problem that is being fixed (as of Jan 31), but means we will lose about 200 M 3D molecules. We regret this error.

Frodo: asdf

2022-02-01T17:29:10Z

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← Older revision		Revision as of 17:29, 1 February 2022
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	New faster and more reliable tools are arriving soon, later this month, we hope.		New faster and more reliable tools are arriving soon, later this month, we hope.

	* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code. [[One time rearrangement Jan 25 2022]]		* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code. [[ZINC22:One time rearrangement Jan 25 2022]]

	* 4. We have had a setback. We discovered a book keeping problem that is being fixed (as of Jan 31), but means we will lose about 200 M 3D molecules. We regret this error.		* 4. We have had a setback. We discovered a book keeping problem that is being fixed (as of Jan 31), but means we will lose about 200 M 3D molecules. We regret this error.

Frodo: asdf

2022-02-01T17:28:30Z

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← Older revision		Revision as of 17:28, 1 February 2022
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	New faster and more reliable tools are arriving soon, later this month, we hope.		New faster and more reliable tools are arriving soon, later this month, we hope.

	* 3. We ~~have had a setback. We discovered a book keeping problem that is being fixed (as~~ of ~~Jan 31), but means we will lose about 200 M~~ 3D ~~molecules~~. ~~We regret this error~~.		* 3. We did an overdue, one-time rearrangement of ZINC-22 3D directories. This was required to make ZINC-22 simpler to explain, and simpler to code. [[One time rearrangement Jan 25 2022]]

	* 4. Consequently, ZINC-22 is still at around 3.5 billion and has not moved much during January.		* 4. We have had a setback. We discovered a book keeping problem that is being fixed (as of Jan 31), but means we will lose about 200 M 3D molecules. We regret this error.

			* 5. Consequently, ZINC-22 is still at around 3.5 billion and has not moved much during January.
	We have a huge backlog that we are trying to clear.		We have a huge backlog that we are trying to clear.

	[[Category:ZINC-22-news]]		[[Category:ZINC-22-news]]

Frodo: asdf

2022-02-01T17:26:47Z

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← Older revision		Revision as of 17:26, 1 February 2022
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	New faster and more reliable tools are arriving soon, later this month, we hope.		New faster and more reliable tools are arriving soon, later this month, we hope.

	* 3. ~~ZINC-22 is at 3.35 billion~~. We ~~are seeing~~ a ~~surge this month now~~ that ~~new disks have arrived~~,		* 3. We have had a setback. We discovered a book keeping problem that is being fixed (as of Jan 31), but means we will lose about 200 M 3D molecules. We regret this error.
	~~including over 100M new~~ molecules ~~H19 and under as well as hundreds of millions in the H20-H24 range~~.

			* 4. Consequently, ZINC-22 is still at around 3.5 billion and has not moved much during January.
			We have a huge backlog that we are trying to clear.

	[[Category:ZINC-22-news]]		[[Category:ZINC-22-news]]

Frodo: asdf

2022-02-01T17:16:47Z

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← Older revision		Revision as of 17:16, 1 February 2022
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	including over 100M new molecules H19 and under as well as hundreds of millions in the H20-H24 range.		including over 100M new molecules H19 and under as well as hundreds of millions in the H20-H24 range.

	[[Category:~~Draft~~]]
			[[Category:ZINC-22-news]]