User contributions for Btingle
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2 March 2023
- 20:3120:31, 2 March 2023 diff hist +297 Repackaging DB2 DOCK38 No edit summary
- 20:2920:29, 2 March 2023 diff hist +1,364 N Repackaging DB2 DOCK38 Created page with "The following is a script for repackaging 3D pipeline results. First, here is the script: <nowiki> #!/bin/bash # make_tarballs.bash # required parameter RESULT_DIRECTORY=$1 # optional parameters WORKING_DIRECTORY=${WORKING_DIRECTORY-/tmp/$(whoami)} PACKAGES_PER_PACKAGE=${PACKAGES_PER_PACKAGE-100} PACKAGE_TYPE=${PACKAGE_TYPE-db2.gz} PACKAGE_TYPE_SHORT=$(echo $PACKAGE_TYPE | cut -d'.' -f1) echo WORKING_DIRECTORY=$WORKING_DIRECTORY mkdir -p $WORKING_DIRECTORY && cd $WO..."
28 February 2023
- 18:5418:54, 28 February 2023 diff hist +349 SUBDOCK DOCK3.8 No edit summary
- 18:4718:47, 28 February 2023 diff hist +121 DOCK 3.8 No edit summary
- 18:4318:43, 28 February 2023 diff hist +1 DOCK 3.8 No edit summary
- 18:4318:43, 28 February 2023 diff hist +137 DOCK 3.8 No edit summary
10 February 2023
- 00:0400:04, 10 February 2023 diff hist +309 Building The 3D Pipeline ZINC22 →Job Submission Arguments
9 February 2023
- 23:5323:53, 9 February 2023 diff hist −8 Building The 3D Pipeline ZINC22 →Examples
- 23:5023:50, 9 February 2023 diff hist +146 Building The 3D Pipeline ZINC22 →Examples
- 23:4523:45, 9 February 2023 diff hist +55 Building The 3D Pipeline ZINC22 →Job Submission Arguments
- 23:4223:42, 9 February 2023 diff hist +15 Building The 3D Pipeline ZINC22 →OMEGA_RMSD
- 23:4223:42, 9 February 2023 diff hist +157 Building The 3D Pipeline ZINC22 →Omega Arguments
- 23:4123:41, 9 February 2023 diff hist +529 Building The 3D Pipeline ZINC22 No edit summary
6 February 2023
- 22:2122:21, 6 February 2023 diff hist −42 SUBDOCK DOCK3.8 →full example - all steps
- 22:1922:19, 6 February 2023 diff hist −24 SUBDOCK DOCK3.8 →installing
- 22:1922:19, 6 February 2023 diff hist +91 SUBDOCK DOCK3.8 No edit summary
1 February 2023
- 18:1618:16, 1 February 2023 diff hist +3 SUBDOCK DOCK3.8 No edit summary
2 December 2022
- 23:1423:14, 2 December 2022 diff hist −38 m SUBDOCK DOCK3.8 →full example - all steps
- 23:1323:13, 2 December 2022 diff hist −302 SUBDOCK DOCK3.8 No edit summary
- 04:5804:58, 2 December 2022 diff hist −1 m SUBDOCK DOCK3.8 →full example - all steps
- 01:5201:52, 2 December 2022 diff hist +672 SUBDOCK DOCK3.8 No edit summary
1 December 2022
- 23:5223:52, 1 December 2022 diff hist +194 SUBDOCK DOCK3.8 No edit summary
- 23:4623:46, 1 December 2022 diff hist +162 SUBDOCK DOCK3.8 →what's new?
- 22:3022:30, 1 December 2022 diff hist +82 DOCK 3.8 No edit summary
- 22:2822:28, 1 December 2022 diff hist +114 How to dock in DOCK3.8 No edit summary current
- 22:2222:22, 1 December 2022 diff hist +135 SUBDOCK DOCK3.8 →full example - all steps
- 22:2022:20, 1 December 2022 diff hist −443 SUBDOCK DOCK3.8 No edit summary
- 21:4921:49, 1 December 2022 diff hist +61 SUBDOCK DOCK3.8 →full example - all steps
- 21:4821:48, 1 December 2022 diff hist −428 SUBDOCK DOCK3.8 No edit summary
- 21:4721:47, 1 December 2022 diff hist +2,215 SUBDOCK DOCK3.8 No edit summary
- 02:1502:15, 1 December 2022 diff hist +295 SUBDOCK DOCK3.8 No edit summary
- 02:1402:14, 1 December 2022 diff hist +4,590 N SUBDOCK DOCK3.8 Created page with "== how to use subdock == Subdock is a utility for running UCSF docking workloads across multiple platforms. There are four essential ingredients that go in to every docking..."
27 October 2022
- 17:3117:31, 27 October 2022 diff hist −164 Building The 3D Pipeline ZINC22 No edit summary
- 17:2917:29, 27 October 2022 diff hist −404 Building The 3D Pipeline ZINC22 No edit summary
19 October 2022
- 20:3820:38, 19 October 2022 diff hist −2 AWS:Set up account →Installation current
- 20:3820:38, 19 October 2022 diff hist +8 N File:Step1-docktut-again.png No edit summary current
- 20:3620:36, 19 October 2022 diff hist −85 AWS:Set up account →Environment Creation
- 20:3520:35, 19 October 2022 diff hist −115 AWS:Set up account →Environment Creation
- 20:3320:33, 19 October 2022 diff hist +4 N File:Stepwhatever2.png No edit summary current
- 20:3320:33, 19 October 2022 diff hist +4 N File:Stepwhatever.png No edit summary current
- 20:2520:25, 19 October 2022 diff hist +13 N File:Step6.png No edit summary current
- 20:2220:22, 19 October 2022 diff hist +182 AWS:Set up account →S3 Bucket
- 20:2120:21, 19 October 2022 diff hist +132 N File:Awsdock-Step3-flowchart.png No edit summary current
- 20:1520:15, 19 October 2022 diff hist +64 N File:Step3.png No edit summary current
- 20:1220:12, 19 October 2022 diff hist −483 AWS:Set up account →Installation
- 20:1220:12, 19 October 2022 diff hist +68 N File:Awsdock-imagetut-step1.png No edit summary current
18 October 2022
- 19:3019:30, 18 October 2022 diff hist +7 Add Tools18 module No edit summary current
11 October 2022
- 22:1122:11, 11 October 2022 diff hist +3 AWS:Submit docking job →auto aws configure current
- 22:1022:10, 11 October 2022 diff hist +3 AWS:Upload files for docking →Approach 2: AWS CLI current
- 22:1022:10, 11 October 2022 diff hist +15 AWS:Set up account No edit summary
24 August 2022
- 18:5718:57, 24 August 2022 diff hist −22 Building The 3D Pipeline ZINC22 No edit summary
- 18:5318:53, 24 August 2022 diff hist +4 Building The 3D Pipeline ZINC22 No edit summary
15 August 2022
- 23:0723:07, 15 August 2022 diff hist −20 Building The 3D Pipeline ZINC22 →Examples
- 23:0323:03, 15 August 2022 diff hist +15 Building The 3D Pipeline ZINC22 →Examples
- 23:0323:03, 15 August 2022 diff hist +10 Building The 3D Pipeline ZINC22 →Script Arguments
- 22:5522:55, 15 August 2022 diff hist +17 Building The 3D Pipeline ZINC22 →Wynton Cluster Installation
- 22:5422:54, 15 August 2022 diff hist −323 Building The 3D Pipeline ZINC22 →Wynton Cluster Installation
- 22:5022:50, 15 August 2022 diff hist −200 Building The 3D Pipeline ZINC22 →Introduction
- 22:5022:50, 15 August 2022 diff hist −67 Building The 3D Pipeline ZINC22 →License Requirements
- 22:3922:39, 15 August 2022 diff hist +30 Building The 3D Pipeline ZINC22 →Script Arguments
- 22:3922:39, 15 August 2022 diff hist +352 Building The 3D Pipeline ZINC22 →Script Arguments
- 22:2922:29, 15 August 2022 diff hist +33 Building The 3D Pipeline ZINC22 →Step 2: Download Submission Scripts
- 22:2822:28, 15 August 2022 diff hist +3 Building The 3D Pipeline ZINC22 →Optional Arguments
- 22:2622:26, 15 August 2022 diff hist +44 Building The 3D Pipeline ZINC22 →Examples
- 22:2422:24, 15 August 2022 diff hist −31 Building The 3D Pipeline ZINC22 No edit summary
- 22:2422:24, 15 August 2022 diff hist −70 Building The 3D Pipeline ZINC22 →Requirements
- 22:2322:23, 15 August 2022 diff hist +92 Building The 3D Pipeline ZINC22 →BKS Cluster Installation
- 22:1722:17, 15 August 2022 diff hist 0 Building The 3D Pipeline ZINC22 No edit summary
- 22:1722:17, 15 August 2022 diff hist +195 Building The 3D Pipeline ZINC22 No edit summary
- 22:1522:15, 15 August 2022 diff hist −2,058 Building The 3D Pipeline ZINC22 No edit summary
8 August 2022
3 August 2022
- 22:4422:44, 3 August 2022 diff hist +2 Docking Analysis in DOCK3.8 →Note on Parallel Processing
- 22:4322:43, 3 August 2022 diff hist +204 AWS:Merge and download results →Step 4: Run Analysis and save results
- 22:4022:40, 3 August 2022 diff hist −26 Using AWS Setup For Cloud Computation →Translating Cluster Concepts to AWS Cloud Concepts
- 22:4022:40, 3 August 2022 diff hist −8 Using AWS Setup For Cloud Computation →Translating Cluster Concepts to AWS Cloud Concepts
- 22:3322:33, 3 August 2022 diff hist +7 Using AWS Setup For Cloud Computation →Introduction to the aws-setup platform
- 21:3421:34, 3 August 2022 diff hist +22 Using AWS Setup For Cloud Computation →Batch Environments in aws-setup
- 21:3321:33, 3 August 2022 diff hist +1,309 Using AWS Setup For Cloud Computation No edit summary
- 20:4820:48, 3 August 2022 diff hist +2,313 N Using AWS Setup For Cloud Computation Created page with "= Introduction to the AWS Setup platform = The concept of "the cloud" as a platform for computation is somewhat mystified. Scientists talk about running their calculations "i..."
2 August 2022
29 July 2022
- 20:2420:24, 29 July 2022 diff hist +147 AWS:Merge and download results No edit summary
28 July 2022
- 19:3719:37, 28 July 2022 diff hist +161 AWS:Merge and download results →Prerequisites
- 19:3219:32, 28 July 2022 diff hist −3 AWS:Submit docking job No edit summary
- 19:2819:28, 28 July 2022 diff hist 0 AWS:Submit docking job →Quickstart- Submitting docking jobs through AWS
- 19:2819:28, 28 July 2022 diff hist +286 AWS:Submit docking job No edit summary
- 19:2219:22, 28 July 2022 diff hist +22 AWS:Submit docking job No edit summary
- 19:0019:00, 28 July 2022 diff hist +54 AWS:Submit docking job →Quick Start
- 18:5818:58, 28 July 2022 diff hist +498 AWS:Submit docking job →Requirements
- 18:4618:46, 28 July 2022 diff hist +29 AWS:Submit docking job →Running supersub.bash
- 18:4618:46, 28 July 2022 diff hist +450 AWS:Submit docking job →Running supersub.bash
- 18:4018:40, 28 July 2022 diff hist +42 AWS:Submit docking job →Approach 2: AWS CLI
- 18:3918:39, 28 July 2022 diff hist +226 AWS:Submit docking job →Approach 2: AWS CLI
- 18:3518:35, 28 July 2022 diff hist +72 AWS:Submit docking job →Approach 2: AWS CLI
- 18:3418:34, 28 July 2022 diff hist +20 AWS:Set up account →Environment Creation
- 18:3318:33, 28 July 2022 diff hist −2 AWS:Set up account →Environment Creation
- 18:3218:32, 28 July 2022 diff hist +154 AWS:Set up account →Environment Creation
- 18:1618:16, 28 July 2022 diff hist +5 AWS:Set up account →Container Environment
- 18:1518:15, 28 July 2022 diff hist +10 AWS:Set up account →Installation
- 18:1218:12, 28 July 2022 diff hist +116 AWS:Set up account →Installation
- 17:5917:59, 28 July 2022 diff hist −14 AWS:Set up account →Bid Percentage
- 17:5117:51, 28 July 2022 diff hist +24 AWS DOCK Environment Setup Advanced Usage No edit summary current
- 17:5117:51, 28 July 2022 diff hist +1,148 AWS DOCK Environment Setup Advanced Usage No edit summary
- 17:3917:39, 28 July 2022 diff hist +1 AWS:Set up account →S3 Bucket
- 17:3817:38, 28 July 2022 diff hist −26 AWS:Set up account →S3 Bucket
- 17:3317:33, 28 July 2022 diff hist +408 AWS:Set up account →Quickstart - Creating your first AWS docking environment
- 16:5416:54, 28 July 2022 diff hist +82 AWS:Set up account →S3 Bucket
- 16:5316:53, 28 July 2022 diff hist +153 AWS:Set up account →Environment Creation
27 July 2022
- 17:0517:05, 27 July 2022 diff hist −3 AWS:Submit docking job →Alternative DOCK Executable
- 17:0517:05, 27 July 2022 diff hist +25 AWS:Submit docking job →Alternative DOCK Executable
- 17:0317:03, 27 July 2022 diff hist +135 AWS:Submit docking job →Copying data to Amazon S3
- 16:5816:58, 27 July 2022 diff hist +1 AWS:Set up account →Installation
- 16:5516:55, 27 July 2022 diff hist +121 AWS:Set up account →Quickstart - Creating your first AWS docking environment
- 16:5416:54, 27 July 2022 diff hist −111 AWS:Set up account →Container Environment
- 16:5316:53, 27 July 2022 diff hist −5,159 AWS:Set up account No edit summary
- 06:0606:06, 27 July 2022 diff hist +5,185 N AWS DOCK Environment Setup Advanced Usage Created page with "= Advanced Usage/Configuration Usage = If you followed the tutorial above, you may have noticed that the create-aws-batch-env.bash script was provided a file, awsdock.config,..."
- 06:0606:06, 27 July 2022 diff hist −329 AWS:Set up account →Quickstart - Creating your first AWS docking environment
- 05:5405:54, 27 July 2022 diff hist −520 AWS:Set up account →Quickstart - Creating your first AWS docking environment
- 05:4405:44, 27 July 2022 diff hist −457 AWS:Set up account →Quickstart - Creating your first AWS docking environment
- 05:3805:38, 27 July 2022 diff hist +2 AWS:Merge and download results No edit summary
- 05:3805:38, 27 July 2022 diff hist −23 AWS:Merge and download results No edit summary
- 05:3805:38, 27 July 2022 diff hist +112 AWS:Merge and download results No edit summary
- 05:3605:36, 27 July 2022 diff hist +136 AWS:Submit docking job No edit summary
- 05:3505:35, 27 July 2022 diff hist +42 AWS:Set up account No edit summary
- 05:0905:09, 27 July 2022 diff hist −180 AWS:Set up account →Creating your First AWS Environment
26 July 2022
- 17:1517:15, 26 July 2022 diff hist +166 AWS:Submit docking job →Monitoring Jobs
- 17:1417:14, 26 July 2022 diff hist −221 AWS:Submit docking job →Running supersub.bash
- 17:1317:13, 26 July 2022 diff hist +221 AWS:Submit docking job →Quick Start
- 17:1117:11, 26 July 2022 diff hist −106 AWS:Submit docking job No edit summary
- 17:1017:10, 26 July 2022 diff hist +244 AWS:Submit docking job →Resource Limits
- 17:0717:07, 26 July 2022 diff hist +1,465 AWS:Submit docking job No edit summary
- 16:5716:57, 26 July 2022 diff hist +11 N File:Spotlimits.png No edit summary current
25 July 2022
- 19:3819:38, 25 July 2022 diff hist +1,141 DOCK memory and CPU benchmark No edit summary current
- 16:5916:59, 25 July 2022 diff hist +850 N DOCK memory and CPU benchmark Created page with "Excerpt from email between Ben Tingle and Jiankun Lyu: <nowiki> JK- I have some more info on how threads/cpus work. It seems that utilizing threads does give more power, but..."
22 July 2022
- 20:4820:48, 22 July 2022 diff hist +139 Zfs →Panic!! The disk is full and I can't remove files!
- 20:4620:46, 22 July 2022 diff hist +71 Zfs →Panic!! The disk is full and I can't remove files!
- 20:4520:45, 22 July 2022 diff hist +1,418 Zfs →Troubleshooting
30 June 2022
- 18:0918:09, 30 June 2022 diff hist +215 Legacy IDs in ZINC22 No edit summary current
29 June 2022
- 19:0719:07, 29 June 2022 diff hist +7 AWS:Set up account →Creating your First AWS Environment
- 19:0619:06, 29 June 2022 diff hist +127 AWS:Set up account →Creating your First AWS Environment
- 19:0319:03, 29 June 2022 diff hist +258 AWS:Submit docking job →Running supersub.bash
- 18:5018:50, 29 June 2022 diff hist +76 AWS:Submit docking job →Monitoring Jobs
- 18:2018:20, 29 June 2022 diff hist +30 AWS:Set up account →Creating your First AWS Environment
27 June 2022
- 19:4319:43, 27 June 2022 diff hist +63 AWS:Set up account →Creating your First AWS Environment
- 19:3819:38, 27 June 2022 diff hist +307 AWS:Submit docking job →Running supersub.bash
- 19:2519:25, 27 June 2022 diff hist +256 AWS:Set up account →Installation
- 19:1819:18, 27 June 2022 diff hist +68 AWS:Submit docking job →Monitoring Jobs
- 19:1519:15, 27 June 2022 diff hist +354 AWS:Submit docking job →Running supersub.bash
24 June 2022
- 00:0500:05, 24 June 2022 diff hist +1,379 AWS:Submit docking job No edit summary
23 June 2022
- 23:3923:39, 23 June 2022 diff hist +759 Docking Analysis in DOCK3.8 →top_poses.py
- 23:3423:34, 23 June 2022 diff hist +47 Docking Analysis in DOCK3.8 No edit summary
- 23:3323:33, 23 June 2022 diff hist +376 Docking Analysis in DOCK3.8 →Scripts Description
22 June 2022
- 03:3203:32, 22 June 2022 diff hist +176 Category:AWS DOCK No edit summary current
- 03:3003:30, 22 June 2022 diff hist +307 N Category:AWS DOCK Created page with "Protocols for running DOCK software on AWS. Specifically DOCK 3.8 (and others in the DOCK3 family) Despite these protocols being tailored for the DOCK3 family of software, th..."
- 03:2403:24, 22 June 2022 diff hist +23 AWS:Merge and download results No edit summary
- 03:2403:24, 22 June 2022 diff hist +23 AWS:Set up account No edit summary
- 03:2403:24, 22 June 2022 diff hist +23 AWS:Submit docking job No edit summary
- 03:2203:22, 22 June 2022 diff hist +3,011 AWS:Submit docking job No edit summary
- 01:1901:19, 22 June 2022 diff hist +522 m AWS:Submit docking job →Approach 1: AWS CLI
- 01:1101:11, 22 June 2022 diff hist +1,862 AWS:Submit docking job No edit summary
- 00:5000:50, 22 June 2022 diff hist +22 AWS:Submit docking job →Copying data to Amazon S3
- 00:4300:43, 22 June 2022 diff hist +6 AWS:Set up account →Creating your First AWS Environment
- 00:4200:42, 22 June 2022 diff hist +72 AWS:Set up account →Creating your First AWS Environment
- 00:3800:38, 22 June 2022 diff hist +20 AWS:Set up account →Creating your First AWS Environment
- 00:3500:35, 22 June 2022 diff hist +62 AWS:Set up account →Creating your First AWS Environment
- 00:3400:34, 22 June 2022 diff hist +37 AWS:Set up account →Creating your First AWS Environment
- 00:3200:32, 22 June 2022 diff hist +54 AWS:Set up account →Creating your First AWS Environment
- 00:2900:29, 22 June 2022 diff hist +1,064 AWS:Set up account →Advanced Usage/Configuration Usage
- 00:1800:18, 22 June 2022 diff hist +56 AWS:Set up account →Creating your First AWS Environment
- 00:1600:16, 22 June 2022 diff hist +143 AWS:Set up account →Creating your First AWS Environment
- 00:1500:15, 22 June 2022 diff hist +92 N File:S3pricing.png No edit summary current
21 June 2022
- 23:5923:59, 21 June 2022 diff hist +38 AWS:Set up account →Creating your First AWS Environment
- 23:5323:53, 21 June 2022 diff hist +1,055 N AWS:Submit docking job Created page with "=== Prerequisites === * You've followed the tutorial for setting up the environment: AWS DOCK Environment Setup * Following from the previous requirement, you have the a..."
- 23:0723:07, 21 June 2022 diff hist +4 N File:Aws docking env.png No edit summary current
18 June 2022
- 00:3300:33, 18 June 2022 diff hist +79 AWS:Merge and download results →Step 1: Create an EC2 instance
- 00:1900:19, 18 June 2022 diff hist +248 AWS:Merge and download results →Step 4: Run Analysis and save results
- 00:1900:19, 18 June 2022 diff hist +4 N File:Terminateinstance.png No edit summary current
- 00:1600:16, 18 June 2022 diff hist +273 AWS:Merge and download results →Step 1: Create an EC2 instance
- 00:1600:16, 18 June 2022 diff hist +4 N File:Instancelaunched3.png No edit summary current
- 00:1600:16, 18 June 2022 diff hist +4 N File:Instancelaunched2.png No edit summary current
- 00:1600:16, 18 June 2022 diff hist +4 N File:Instancelaunched1.png No edit summary current
- 00:1500:15, 18 June 2022 diff hist +4 N File:Configstorage.png No edit summary current
- 00:1500:15, 18 June 2022 diff hist +4 N File:Keypair.png No edit summary current
- 00:1300:13, 18 June 2022 diff hist +4 N File:Instancetype.png No edit summary current
- 00:1300:13, 18 June 2022 diff hist +15 N File:Launchinstances.png No edit summary current
- 00:1200:12, 18 June 2022 diff hist +2,519 AWS:Merge and download results No edit summary
17 June 2022
- 23:4223:42, 17 June 2022 diff hist +1,868 N AWS:Merge and download results Created page with "=== Prerequisites === github personal access token & DOCK repository access rights (https://docs.github.com/en/authentication/keeping-your-account-and-data-secure/creating-a-..."
13 June 2022
- 23:5823:58, 13 June 2022 diff hist −8 Search zinc22.py →comb_legacy_files.py
- 23:5323:53, 13 June 2022 diff hist +236 Search zinc22.py →comb_legacy_files.py
- 23:1823:18, 13 June 2022 diff hist +141 OCI Slurm Autoscaling No edit summary
- 23:1623:16, 13 June 2022 diff hist +2,824 N OCI Slurm Autoscaling Created page with "* Create a compartment for your autoscaling resources <nowiki> SlurmAutoScaling</nowiki> * Create a dynamic group for autoscaling instances. Add the following as a matching..."
10 June 2022
- 23:1423:14, 10 June 2022 diff hist −12 Search zinc22.py No edit summary
- 23:1323:13, 10 June 2022 diff hist +1 Search zinc22.py →Location
- 23:1323:13, 10 June 2022 diff hist +3 Search zinc22.py →Location
- 23:1323:13, 10 June 2022 diff hist +258 Search zinc22.py No edit summary
- 22:5722:57, 10 June 2022 diff hist +6 Search zinc22.py →Description
- 22:5722:57, 10 June 2022 diff hist +129 Search zinc22.py →Location
- 22:5522:55, 10 June 2022 diff hist +64 Search zinc22.py →Location
- 22:4622:46, 10 June 2022 diff hist +17 Search zinc22.py →comb_legacy_files.py
- 22:4522:45, 10 June 2022 diff hist +142 Search zinc22.py →comb_legacy_files.py
- 22:4422:44, 10 June 2022 diff hist +9 Search zinc22.py →Dealing with NULL
- 22:4322:43, 10 June 2022 diff hist +145 Search zinc22.py No edit summary
- 22:4122:41, 10 June 2022 diff hist −87 Search zinc22.py →comb_legacy_files.py
- 22:4122:41, 10 June 2022 diff hist +765 Search zinc22.py No edit summary
- 00:5900:59, 10 June 2022 diff hist +22 Search zinc22.py No edit summary
- 00:5900:59, 10 June 2022 diff hist +112 Search zinc22.py No edit summary
9 June 2022
- 09:1409:14, 9 June 2022 diff hist −63 Search zinc22.py →Dealing with NULL
- 09:1209:12, 9 June 2022 diff hist +4 Search zinc22.py →Dealing with NULL
- 09:1209:12, 9 June 2022 diff hist +36 Search zinc22.py →Dealing with NULL
- 09:1109:11, 9 June 2022 diff hist +165 Search zinc22.py →Dealing with NULL
- 09:1009:10, 9 June 2022 diff hist +4 Search zinc22.py →Dealing with NULL
- 09:1009:10, 9 June 2022 diff hist −86 Search zinc22.py →Dealing with NULL
- 09:1009:10, 9 June 2022 diff hist −2 Search zinc22.py →Dealing with NULL
- 09:0909:09, 9 June 2022 diff hist 0 Search zinc22.py →Dealing with NULL
- 09:0909:09, 9 June 2022 diff hist +79 Search zinc22.py →Dealing with NULL
- 09:0809:08, 9 June 2022 diff hist +1,359 Search zinc22.py No edit summary
- 07:2107:21, 9 June 2022 diff hist +214 Search zinc22.py No edit summary
- 07:2007:20, 9 June 2022 diff hist −2 Search zinc22.py →Usage w/ Bash on BKS cluster
- 07:1907:19, 9 June 2022 diff hist −9 Search zinc22.py No edit summary
- 07:1807:18, 9 June 2022 diff hist +252 Search zinc22.py No edit summary
- 07:1507:15, 9 June 2022 diff hist −2 Search zinc22.py No edit summary
- 07:1207:12, 9 June 2022 diff hist −4 Search zinc22.py No edit summary
- 07:0107:01, 9 June 2022 diff hist −7 Search zinc22.py No edit summary
- 06:1906:19, 9 June 2022 diff hist −158 Search zinc22.py No edit summary
- 06:1806:18, 9 June 2022 diff hist +295 Search zinc22.py No edit summary
8 June 2022
- 21:5121:51, 8 June 2022 diff hist +322 Search zinc22.py No edit summary
- 21:4821:48, 8 June 2022 diff hist +105 Search zinc22.py No edit summary
- 21:4821:48, 8 June 2022 diff hist +899 N Search zinc22.py Created page with " <nowiki> usage: search_zinc22.py [-h] [--configuration-server-url CONFIGURATION_SERVER_URL] zinc_id_in results_out positional..."
19 May 2022
- 22:3522:35, 19 May 2022 diff hist −177 How to compile DOCK No edit summary
- 22:3422:34, 19 May 2022 diff hist +168 How to compile DOCK No edit summary
- 21:4021:40, 19 May 2022 diff hist +1,040 N Legacy IDs in ZINC22 Created page with "ZINC22 is by far the largest chemical database this lab has built, and with it's fantastic size we have found fantastic new difficulties. When we receive chemical libraries f..."
- 20:2620:26, 19 May 2022 diff hist +132 How to compile DOCK →compiling dock3.8
- 20:2220:22, 19 May 2022 diff hist +342 How to compile DOCK No edit summary
29 April 2022
- 01:5401:54, 29 April 2022 diff hist −7 How to compile DOCK →compiling dock3.8
- 01:5301:53, 29 April 2022 diff hist +245 How to compile DOCK →gfortran instructions
- 01:5201:52, 29 April 2022 diff hist +1,789 How to compile DOCK No edit summary
22 April 2022
- 21:0321:03, 22 April 2022 diff hist +139 AWS:Set up account No edit summary
- 20:3620:36, 22 April 2022 diff hist +117 AWS:Set up account →Creating your First AWS Environment
22 March 2022
- 20:4720:47, 22 March 2022 diff hist −120 How to dock in DOCK3.8 →DOCKFILES
- 20:3020:30, 22 March 2022 diff hist +6 How to dock in DOCK3.8 →Examples
- 17:5017:50, 22 March 2022 diff hist +137 How to dock in DOCK3.8 →Note on using SHRTCACHE and LONGCACHE
- 17:4517:45, 22 March 2022 diff hist +10 How to dock in DOCK3.8 →Note on using SHRTCACHE and LONGCACHE
- 17:4217:42, 22 March 2022 diff hist +1,351 How to dock in DOCK3.8 No edit summary
18 March 2022
- 07:4507:45, 18 March 2022 diff hist +50 AWS:Set up account →Creating your First AWS Environment
- 04:2304:23, 18 March 2022 diff hist +12 AWS:Set up account →Creating your First AWS Environment
- 04:2304:23, 18 March 2022 diff hist +4 AWS:Set up account →Creating your First Environment
- 04:2304:23, 18 March 2022 diff hist +12 AWS:Set up account →Running the Scripts
- 04:2104:21, 18 March 2022 diff hist +215 AWS:Set up account →Advanced Usage/Configuration Usage
- 04:1604:16, 18 March 2022 diff hist +71 AWS:Set up account →Container Environment
- 04:1504:15, 18 March 2022 diff hist +23 AWS:Set up account →Container Environment
- 04:1404:14, 18 March 2022 diff hist +265 AWS:Set up account →Container Environment