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20 March 2021
- 08:0308:03, 20 March 2021 diff hist +17 How to dock in DOCK3.8 →Developer Example: Running jobs from scratch
- 07:5407:54, 20 March 2021 diff hist −12 How to dock in DOCK3.8 →Developer Example: Running jobs from scratch
- 07:5207:52, 20 March 2021 diff hist +1,737 How to dock in DOCK3.8 →Developer Example: Running jobs from scratch
19 March 2021
- 23:4723:47, 19 March 2021 diff hist +2,584 How to dock in DOCK3.8 No edit summary
- 22:5822:58, 19 March 2021 diff hist +53 How to dock in DOCK3.8 →Example: Running a lot of docking jobs
- 22:5722:57, 19 March 2021 diff hist −1 How to dock in DOCK3.8 →DOCKEXEC
- 22:5722:57, 19 March 2021 diff hist +29 How to dock in DOCK3.8 →DOCKFILES
- 22:5622:56, 19 March 2021 diff hist +130 How to dock in DOCK3.8 →Appendix: Docking mono-cations of ZINC22 with DOCK3.8 on Wynton
- 22:5122:51, 19 March 2021 diff hist +57 How to dock in DOCK3.8 →LONGCACHE
- 22:5022:50, 19 March 2021 diff hist −81 How to dock in DOCK3.8 →LONGCACHE
- 22:4822:48, 19 March 2021 diff hist +175 How to dock in DOCK3.8 →DOCKFILES
- 22:4622:46, 19 March 2021 diff hist +397 How to dock in DOCK3.8 No edit summary
2 March 2021
- 19:2019:20, 2 March 2021 diff hist +206 How to dock in DOCK3.8 →DOCKEXEC
24 February 2021
- 23:5823:58, 24 February 2021 diff hist −11 How to dock in DOCK3.8 →Example: Running a lot of docking jobs
- 23:5623:56, 24 February 2021 diff hist +43 How to dock in DOCK3.8 →Examples
- 23:5623:56, 24 February 2021 diff hist +604 How to dock in DOCK3.8 No edit summary
- 20:3920:39, 24 February 2021 diff hist +63 How to dock in DOCK3.8 →Required Arguments
- 20:3720:37, 24 February 2021 diff hist +123 How to dock in DOCK3.8 →INPUT_SOURCE
18 February 2021
- 18:4118:41, 18 February 2021 diff hist +40 Building The 3D Pipeline ZINC22 →SOFT_HOME
- 18:4018:40, 18 February 2021 diff hist +20 Building The 3D Pipeline ZINC22 →SOFT_HOME
- 18:4018:40, 18 February 2021 diff hist +153 Building The 3D Pipeline ZINC22 →Script Arguments
- 18:3818:38, 18 February 2021 diff hist +475 Building The 3D Pipeline ZINC22 →SOFT_HOME
- 18:3518:35, 18 February 2021 diff hist +10 Building The 3D Pipeline ZINC22 →Setup Instructions
- 18:3318:33, 18 February 2021 diff hist +5 Building The 3D Pipeline ZINC22 →Setup Instructions
- 18:3218:32, 18 February 2021 diff hist +299 Building The 3D Pipeline ZINC22 No edit summary
- 18:0118:01, 18 February 2021 diff hist +10 Building The 3D Pipeline ZINC22 →SOFT_HOME
- 18:0018:00, 18 February 2021 diff hist +34 Building The 3D Pipeline ZINC22 →LONGCACHE
- 17:5817:58, 18 February 2021 diff hist +5 Building The 3D Pipeline ZINC22 →SOFT_HOME
- 17:5817:58, 18 February 2021 diff hist +26 Building The 3D Pipeline ZINC22 →SOFT_HOME
- 17:5817:58, 18 February 2021 diff hist +65 Building The 3D Pipeline ZINC22 →Script Arguments
9 February 2021
- 21:4021:40, 9 February 2021 diff hist −28 ZINC22:Singularity →how to build the singularity image current
- 21:3721:37, 9 February 2021 diff hist −7 ZINC22:Singularity →how to build the singularity image
- 21:3621:36, 9 February 2021 diff hist +170 ZINC22:Singularity →how to build the singularity image
- 21:3321:33, 9 February 2021 diff hist +396 ZINC22:Singularity →how to build the singularity image
8 February 2021
- 22:0222:02, 8 February 2021 diff hist +54 ZINC22:Singularity →how to use the singularity image
- 22:0122:01, 8 February 2021 diff hist +100 ZINC22:Singularity →how to build the singularity image
- 22:0022:00, 8 February 2021 diff hist +28 ZINC22:Singularity →how to build the singularity image
- 21:5921:59, 8 February 2021 diff hist +629 ZINC22:Singularity →how to build the singularity image
- 18:2218:22, 8 February 2021 diff hist −148 Building The 3D Pipeline ZINC22 →Running The Script
29 January 2021
- 03:2203:22, 29 January 2021 diff hist +553 How to dock in DOCK3.8 No edit summary
28 January 2021
- 21:3321:33, 28 January 2021 diff hist −21 How to dock in DOCK3.8 →Example: Running a lot of docking jobs
- 21:3221:32, 28 January 2021 diff hist −8 How to dock in DOCK3.8 →Example: Running a lot of docking jobs
- 21:2921:29, 28 January 2021 diff hist −61 How to dock in DOCK3.8 →Required Arguments
- 21:2821:28, 28 January 2021 diff hist 0 How to dock in DOCK3.8 →Optional Arguments
- 21:2721:27, 28 January 2021 diff hist +1,633 How to dock in DOCK3.8 No edit summary
- 21:1321:13, 28 January 2021 diff hist +39 How to dock in DOCK3.8 No edit summary
27 January 2021
- 19:1519:15, 27 January 2021 diff hist −1 Building The 3D Pipeline ZINC22 →Setup Instructions
- 18:5918:59, 27 January 2021 diff hist +11 Building The 3D Pipeline ZINC22 →LONGCACHE
- 18:5818:58, 27 January 2021 diff hist −295 Building The 3D Pipeline ZINC22 →Script Arguments
- 18:5618:56, 27 January 2021 diff hist +170 Building The 3D Pipeline ZINC22 →Running The Script
25 December 2020
- 07:4907:49, 25 December 2020 diff hist +73 2dload.py →Adding data with 2dload current
- 05:2905:29, 25 December 2020 diff hist +72 2dload.py →Adding data with 2dload
- 05:2405:24, 25 December 2020 diff hist +34 2dload.py →Adding data with 2dload
- 05:1905:19, 25 December 2020 diff hist +181 2dload.py No edit summary
- 05:1605:16, 25 December 2020 diff hist +14 2dload.py No edit summary
- 05:1505:15, 25 December 2020 diff hist +589 2dload.py →Adding data with 2dload
- 05:0305:03, 25 December 2020 diff hist +54 2dload.py →Adding data with 2dload
- 05:0005:00, 25 December 2020 diff hist +1,654 N 2dload.py Created page with "2dload.py is BKSLab's ZINC22 database management program, created by Benjamin Tingle. 2dload.py has three basic functionalities: * 2dload.py add * 2dload.py rollback * 2dloa..."
- 04:2704:27, 25 December 2020 diff hist +354 ZINC22 Partitions No edit summary current
- 00:4200:42, 25 December 2020 diff hist +450 ZINC22 Partitions No edit summary
- 00:3700:37, 25 December 2020 diff hist +168 ZINC22 Partitions No edit summary
- 00:3500:35, 25 December 2020 diff hist 0 File:Partitions new.PNG Btingle uploaded a new version of "File:Partitions new.PNG" current
- 00:3400:34, 25 December 2020 diff hist +16 ZINC22 Partitions No edit summary
- 00:3300:33, 25 December 2020 diff hist +77 ZINC22 Partitions No edit summary
- 00:3200:32, 25 December 2020 diff hist +1,804 N ZINC22 Partitions Created page with "The ZINC22 molecule database is sorted into buckets that we call tranches. The contents of each tranche are distinguished by a specific range of physiochemical properties, nam..."
24 November 2020
- 18:3318:33, 24 November 2020 diff hist +148 Building The 3D Pipeline ZINC22 No edit summary
20 November 2020
- 18:5918:59, 20 November 2020 diff hist +143 Restartable DOCK37 →Running & Restartability
- 07:3407:34, 20 November 2020 diff hist 0 Restartable DOCK37 →Required Input
- 07:3007:30, 20 November 2020 diff hist +60 Restartable DOCK37 →Required Input
- 07:2807:28, 20 November 2020 diff hist +2 Restartable DOCK37 →Additional Notes
- 07:2607:26, 20 November 2020 diff hist +38 Restartable DOCK37 →Required Input
- 07:2507:25, 20 November 2020 diff hist +85 Restartable DOCK37 →Running & Restartability
- 05:2405:24, 20 November 2020 diff hist −6 Restartable DOCK37 →Running & Restartability
- 02:1002:10, 20 November 2020 diff hist +178 Restartable DOCK37 No edit summary
- 02:0402:04, 20 November 2020 diff hist +1 Restartable DOCK37 →Required Input
- 02:0402:04, 20 November 2020 diff hist +6 Restartable DOCK37 →Required Input
- 02:0202:02, 20 November 2020 diff hist +8 Restartable DOCK37 →Running & Restartability
- 02:0102:01, 20 November 2020 diff hist +2,449 N Restartable DOCK37 Created page with "==== Required Input ==== INDOCK split database index file The name of the split database index file is defined in INDOCK. Most INDOCK files name this file split_database_ind..."
18 November 2020
- 23:3223:32, 18 November 2020 diff hist +99 Building The 3D Pipeline ZINC22 →Running The Script
- 21:4321:43, 18 November 2020 diff hist +141 Building The 3D Pipeline ZINC22 →Repatriation
- 21:4121:41, 18 November 2020 diff hist +15 Building The 3D Pipeline ZINC22 →Running The Script
- 21:3921:39, 18 November 2020 diff hist +150 Building The 3D Pipeline ZINC22 →Setup Instructions
- 21:3721:37, 18 November 2020 diff hist +114 Building The 3D Pipeline ZINC22 →Setup Instructions
- 21:3121:31, 18 November 2020 diff hist −3 Building The 3D Pipeline ZINC22 →Setup Instructions
- 21:2721:27, 18 November 2020 diff hist +91 Building The 3D Pipeline ZINC22 →Running The Script
- 21:2521:25, 18 November 2020 diff hist −10 Building The 3D Pipeline ZINC22 →Running The Script
- 21:1921:19, 18 November 2020 diff hist −1 Building The 3D Pipeline ZINC22 →SBATCH_ARGS
- 21:1921:19, 18 November 2020 diff hist +127 Building The 3D Pipeline ZINC22 →Script Arguments
10 November 2020
- 20:1820:18, 10 November 2020 diff hist +125 Building The 3D Pipeline ZINC22 →Running The Script
- 20:1620:16, 10 November 2020 diff hist 0 Building The 3D Pipeline ZINC22 →Running The Script
9 November 2020
- 17:1817:18, 9 November 2020 diff hist +147 2dload →Command Description
5 November 2020
- 18:0718:07, 5 November 2020 diff hist −22 2dload →New 2D instructions
- 18:0618:06, 5 November 2020 diff hist +4,646 N 2dload Created page with "= New 2D instructions = === New commands === 1. pre_process_partition.bash [partition_id] [tranches] 2. python 2dload.py add [partition_id] [preprocess_file] [catalog_short..."
20 October 2020
- 18:2018:20, 20 October 2020 diff hist +22 Building The 3D Pipeline ZINC22 →Running The Script
- 18:1618:16, 20 October 2020 diff hist +289 Building The 3D Pipeline ZINC22 →Script Arguments
16 October 2020
- 01:3701:37, 16 October 2020 diff hist −30 Building The 3D Pipeline ZINC22 →Setup Instructions
- 01:2201:22, 16 October 2020 diff hist +9 Building The 3D Pipeline ZINC22 →Repatriation
- 01:1701:17, 16 October 2020 diff hist +221 Building The 3D Pipeline ZINC22 →Script Arguments
- 01:1401:14, 16 October 2020 diff hist +20 Building The 3D Pipeline ZINC22 →Running The Script
- 01:1301:13, 16 October 2020 diff hist +802 Building The 3D Pipeline ZINC22 →Input And Output