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