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- This page is for big changes to ZINC-22 during March 2022. [[Category:ZINC-22-news]]193 bytes (29 words) - 15:29, 5 March 2022
- This is a summary of what happened to ZINC-22 in Feb 2022. [[ZINC-22:Revision of Feb 1 2022]]788 bytes (131 words) - 17:19, 23 February 2022
- ...e things you need to be aware of. These are described in this wiki page: [[ZINC-22 Clean Up in Jan 2022]] * 2. We have rebuilt ZINC20 in stock in ZINC-22 aka /zinc-22g/.1 KB (227 words) - 17:10, 2 February 2022
- This sheet keeps track of the growth of ZINC-22.235 bytes (36 words) - 22:57, 18 May 2021
- 45 bytes (6 words) - 18:06, 9 March 2023
- These are notes from John to Max to help guide the curation of ZINC-22 3D. Each topic has its own subject heading. * ls -ld /nfs/ex?/zinc-22?/H??/H??[PM]???* - this tells you where the 50-mers live2 KB (250 words) - 19:10, 17 June 2022
- This is the story of the building of ZINC-22.1 KB (234 words) - 21:07, 6 May 2024
- ...exclude='sets' --exclude='*' --verbose rsync://files.docking.org/ZINC22-3D/zinc-22<?> . This will get you all molecules in the "?" layer of ZINC-22. with the db2 format. If you want sdf, mol2 or pdbqt, just change db2 into1 KB (195 words) - 21:10, 3 August 2022
- On Feb 23, 2022 we made the following changes to ZINC-22. [[Category:ZINC-22-news]]1 KB (195 words) - 01:39, 24 February 2022
- We are making the following changes to ZINC-22. ...molecules in /zinc-22f/ and /zinc-22e/. These have all been removed from ZINC-22.522 bytes (81 words) - 17:13, 1 February 2022
- ...be helpful to narrow down the search range for economic and time purposes. ZINC-22 [Tingle, 2022] can be selected using the 3D tranche browser of cartblanche22 KB (314 words) - 18:52, 9 August 2022
- ...It is working on H25 as I write, expecting to finish H26-H29 later today). ZINC-22 2D is now about 30% bigger. Old count was around 37B. Now around 50B. [[Category:ZINC-22-news]]3 KB (493 words) - 22:03, 16 May 2024
- We started building ZINC-22 before all of the cataloging apparatus was ready. As a result of mistakes w We cleaned up ZINC-22 in the first week of January 2022, deleting 47.6 million 3D molecules that2 KB (346 words) - 17:18, 1 February 2022
- We are executing a one-time rearrangement of ZINC-22 3D files as follows. a. we have moved (are moving) files to make ZINC-22 easier to use.2 KB (297 words) - 17:15, 1 February 2022
- 11 KB (1,604 words) - 23:52, 10 January 2019
- 439 bytes (57 words) - 00:48, 5 January 2019
- 44 bytes (6 words) - 03:14, 14 February 2014
- 3 KB (428 words) - 21:06, 4 October 2016
- 2 KB (287 words) - 17:02, 18 March 2014
- 486 bytes (65 words) - 00:46, 5 January 2019
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- 27 bytes (3 words) - 17:13, 14 February 2014
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- 624 bytes (61 words) - 19:09, 16 May 2024
- 159 bytes (24 words) - 08:58, 13 March 2014
- 29 bytes (3 words) - 21:05, 25 March 2015
- 788 bytes (129 words) - 05:30, 14 February 2014
- 1 KB (187 words) - 01:09, 5 January 2019
- 3 KB (462 words) - 05:35, 22 February 2017
- 2 KB (252 words) - 18:04, 22 September 2014
- 5 KB (757 words) - 15:42, 11 March 2014
- 513 bytes (78 words) - 20:50, 2 May 2024
- 361 bytes (57 words) - 13:38, 1 May 2014
- 29 bytes (3 words) - 20:33, 8 October 2012
- 7 KB (1,114 words) - 05:28, 14 February 2014
- 2 KB (231 words) - 22:04, 4 January 2019
- 2 KB (309 words) - 00:55, 5 January 2019
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- 2 KB (358 words) - 15:28, 11 March 2014
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- 562 bytes (89 words) - 23:12, 1 April 2016
- 3 KB (433 words) - 21:34, 28 December 2018
- 2 KB (348 words) - 05:28, 14 February 2014
- #REDIRECT [[ZINC-22:3D Building]]33 bytes (4 words) - 22:20, 15 March 2022
- 37 bytes (4 words) - 05:49, 22 February 2013
- 328 bytes (54 words) - 00:32, 10 January 2019
- 875 bytes (130 words) - 17:58, 17 July 2014
- 939 bytes (146 words) - 17:59, 2 May 2024
- 26 bytes (3 words) - 20:33, 8 October 2012
- 677 bytes (97 words) - 19:05, 10 January 2019
- 1 KB (221 words) - 23:15, 4 January 2019
- 819 bytes (129 words) - 17:41, 2 May 2024
- 731 bytes (124 words) - 22:13, 7 March 2018
- 3 KB (499 words) - 04:07, 29 May 2020
- 2 KB (414 words) - 00:08, 31 May 2020
- 7 KB (1,168 words) - 18:50, 8 September 2021
- 730 bytes (118 words) - 17:40, 17 December 2015
- 4 KB (542 words) - 00:47, 10 January 2019
Page text matches
- Dockable ZINC-22 lives here /nfs/exd/zinc-22[xvuts]/H??/H??[PM]???.*.db2.tgz460 bytes (80 words) - 20:27, 19 February 2021
- We are making the following changes to ZINC-22. ...molecules in /zinc-22f/ and /zinc-22e/. These have all been removed from ZINC-22.522 bytes (81 words) - 17:13, 1 February 2022
- This is a summary of what happened to ZINC-22 in Feb 2022. [[ZINC-22:Revision of Feb 1 2022]]788 bytes (131 words) - 17:19, 23 February 2022
- This page is for big changes to ZINC-22 during March 2022. [[Category:ZINC-22-news]]193 bytes (29 words) - 15:29, 5 March 2022
- How to maintain zinc-22 * load33tr.pl <layer> in each zinc-22? layer dir.239 bytes (38 words) - 18:48, 16 May 2024
- ...e things you need to be aware of. These are described in this wiki page: [[ZINC-22 Clean Up in Jan 2022]] * 2. We have rebuilt ZINC20 in stock in ZINC-22 aka /zinc-22g/.1 KB (227 words) - 17:10, 2 February 2022
- #REDIRECT [[ZINC-22:3D Building]]33 bytes (4 words) - 22:20, 15 March 2022
- We started building ZINC-22 before all of the cataloging apparatus was ready. As a result of mistakes w We cleaned up ZINC-22 in the first week of January 2022, deleting 47.6 million 3D molecules that2 KB (346 words) - 17:18, 1 February 2022
- This sheet keeps track of the growth of ZINC-22.235 bytes (36 words) - 22:57, 18 May 2021
- We are executing a one-time rearrangement of ZINC-22 3D files as follows. a. we have moved (are moving) files to make ZINC-22 easier to use.2 KB (297 words) - 17:15, 1 February 2022
- On Feb 23, 2022 we made the following changes to ZINC-22. [[Category:ZINC-22-news]]1 KB (195 words) - 01:39, 24 February 2022
- These are notes from John to Max to help guide the curation of ZINC-22 3D. Each topic has its own subject heading. * ls -ld /nfs/ex?/zinc-22?/H??/H??[PM]???* - this tells you where the 50-mers live2 KB (250 words) - 19:10, 17 June 2022
- /nfs/exd/zinc-22?/ - 5000-mer tarballs, location 1. t-x /nfs/exc/zinc-22?/ - 5000-mer tarballs, location 2. h-s2 KB (276 words) - 23:20, 3 May 2021
- Layers in ZINC-22 are generally used to help us build ZINC faster in 3D. As such, the differ1 KB (252 words) - 18:46, 16 May 2024
- 486 bytes (65 words) - 00:46, 5 January 2019
- ...exclude='sets' --exclude='*' --verbose rsync://files.docking.org/ZINC22-3D/zinc-22<?> . This will get you all molecules in the "?" layer of ZINC-22. with the db2 format. If you want sdf, mol2 or pdbqt, just change db2 into1 KB (195 words) - 21:10, 3 August 2022
- ...ecules with labeled isotopes. They were not loaded into ZINC15, ZINC20 or ZINC-22.662 bytes (107 words) - 17:40, 2 May 2024
- 651 bytes (104 words) - 02:44, 12 December 2014
- 624 bytes (61 words) - 19:09, 16 May 2024
- ...It is working on H25 as I write, expecting to finish H26-H29 later today). ZINC-22 2D is now about 30% bigger. Old count was around 37B. Now around 50B. [[Category:ZINC-22-news]]3 KB (493 words) - 22:03, 16 May 2024
- ZINC-22 is here:864 bytes (140 words) - 23:39, 23 February 2022
- 328 bytes (54 words) - 00:32, 10 January 2019
- 359 bytes (59 words) - 21:24, 3 May 2024
- ...on smaller vendors. Vendors of tangible (make-on-demand) compounds are in ZINC-22. There is some overlap.2 KB (271 words) - 21:42, 6 April 2022
- 1 KB (187 words) - 01:09, 5 January 2019
- 159 bytes (24 words) - 08:58, 13 March 2014
- This is the page about unpack-repack for ZINC-22.602 bytes (95 words) - 21:29, 29 July 2021
- 531 bytes (91 words) - 16:33, 31 March 2014
- 513 bytes (78 words) - 20:50, 2 May 2024
- The files are organized as follows /zinc-22<layer>/H??/H??[PM]???/[a-z]/H??[PM]???-<charge>.*.<format>.tgzwhere:1 KB (178 words) - 19:51, 7 August 2022
- 466 bytes (63 words) - 00:49, 5 January 2019
- 2 KB (245 words) - 14:21, 29 April 2020
- 1 KB (221 words) - 23:15, 4 January 2019
- 550 bytes (89 words) - 20:32, 12 July 2015
- Look in /nfs/exd/zinc-22/sets/2 KB (352 words) - 22:19, 25 March 2021
- 1 KB (184 words) - 00:34, 2 October 2015
- 2 KB (264 words) - 04:20, 1 October 2015
- This is the story of the building of ZINC-22.1 KB (234 words) - 21:07, 6 May 2024
- 3 KB (369 words) - 23:01, 18 September 2017
- 919 bytes (147 words) - 22:06, 4 January 2019
- 3 KB (375 words) - 01:34, 19 September 2017
- 361 bytes (57 words) - 13:38, 1 May 2014
- 2 KB (309 words) - 00:55, 5 January 2019
- 346 bytes (47 words) - 04:07, 13 March 2014
- 2 KB (247 words) - 00:52, 11 March 2014
- * ligdock3 : the ligand building scripts used by ZINC-22. Please note that you only need to build libraries if you do not want to use ZINC-22, and if you do not want to use the free 3D molecule building service in TLD3 KB (413 words) - 17:06, 8 April 2023
- Select the database you wish to search. Current options are ZINC20 and ZINC-22.1 KB (171 words) - 05:26, 9 August 2022
- ...be helpful to narrow down the search range for economic and time purposes. ZINC-22 [Tingle, 2022] can be selected using the 3D tranche browser of cartblanche22 KB (314 words) - 18:52, 9 August 2022
- 1 KB (178 words) - 19:35, 7 August 2022
- 711 bytes (106 words) - 23:33, 4 January 2019
- 27 bytes (3 words) - 17:13, 14 February 2014
- 26 bytes (3 words) - 20:33, 8 October 2012
- 22 bytes (3 words) - 13:58, 1 May 2014
- 788 bytes (129 words) - 05:30, 14 February 2014
- 1 KB (237 words) - 21:57, 5 February 2016
- 228 bytes (29 words) - 22:00, 4 January 2019
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- 31 bytes (4 words) - 19:35, 7 August 2022
- 38 bytes (4 words) - 20:33, 8 October 2012
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- 2 KB (252 words) - 18:04, 22 September 2014
- 2 KB (239 words) - 23:43, 15 June 2018
- 52 bytes (8 words) - 05:26, 14 February 2014
- | zinc22-All || ZINC-225 KB (747 words) - 17:27, 15 May 2024
- * ZINChg000000001 is from ZINC-22, HAC 17, logP between 1.0 and 1.09, is from a commercial big library (Enami3 KB (390 words) - 20:57, 28 September 2022
- 1 KB (149 words) - 07:32, 13 March 2014
- 757 bytes (124 words) - 22:06, 4 January 2019
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- 2 KB (297 words) - 17:20, 19 December 2017
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- 102 bytes (13 words) - 04:34, 3 June 2015
- 602 bytes (77 words) - 21:35, 17 May 2024
- This describes how to become a contributor to ZINC-222 KB (269 words) - 18:07, 9 March 2023
- 2 KB (375 words) - 23:15, 4 January 2019
- Checkout sheet if you want to participate in building ZINC-222 KB (342 words) - 19:12, 28 January 2021
- 2 KB (312 words) - 23:30, 1 October 2015
- 731 bytes (124 words) - 22:13, 7 March 2018
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- 819 bytes (129 words) - 17:41, 2 May 2024
- 3 KB (433 words) - 21:34, 28 December 2018
- Info on using ZINC-22 3D building in singularity.2 KB (355 words) - 21:40, 9 February 2021
- 2 KB (307 words) - 23:31, 10 March 2014
- 2 KB (231 words) - 22:04, 4 January 2019
- 795 bytes (125 words) - 19:04, 21 October 2012
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- 238 bytes (40 words) - 23:11, 4 January 2019
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- ZINC-22 molecules have the form ZINCnprxnnnnnnnn where2 KB (326 words) - 19:18, 20 September 2023
- 350 bytes (47 words) - 18:10, 8 October 2012
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- ls /wynton/group/bks/zinc-22/H19/H19P0??/*.db2.tgz > $sdi/h19p0.in ls /wynton/group/bks/zinc-22/H19/H19P1??/*.db2.tgz > $sdi/h19p1.in16 KB (2,599 words) - 22:28, 1 December 2022
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- * ZINC-22:Select_chemical_space_for_docking5 KB (797 words) - 22:10, 11 October 2022
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- 3a. Get db2 database subset sample via ZINC-22. Example provided below:12 KB (1,896 words) - 02:59, 28 December 2023
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