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19:0519:05, 11 July 2023 diff hist +24‎ All About DB2 Files ‎No edit summary current

00:3300:33, 14 June 2023 diff hist +2‎ All About DB2 Files ‎ →‎What is the deal with sets and confs?
00:3200:32, 14 June 2023 diff hist +19‎ All About DB2 Files ‎ →‎The nittier grittier
00:3100:31, 14 June 2023 diff hist +95‎ All About DB2 Files ‎ →‎What is the deal with sets and confs?
00:2800:28, 14 June 2023 diff hist +19‎ All About DB2 Files ‎ →‎The nitty gritty
00:2600:26, 14 June 2023 diff hist +118‎ All About DB2 Files ‎ →‎What is the deal with sets and confs?
00:2500:25, 14 June 2023 diff hist +171‎ All About DB2 Files ‎No edit summary
00:2000:20, 14 June 2023 diff hist −91‎ All About DB2 Files ‎No edit summary Tag: Manual revert
00:1900:19, 14 June 2023 diff hist +91‎ All About DB2 Files ‎No edit summary
00:1500:15, 14 June 2023 diff hist +2‎ All About DB2 Files ‎ →‎What is the deal with sets and confs?
00:1400:14, 14 June 2023 diff hist +2‎ All About DB2 Files ‎ →‎The nitty gritty
00:1400:14, 14 June 2023 diff hist +2‎ All About DB2 Files ‎ →‎The brass tacks
00:1300:13, 14 June 2023 diff hist +6‎ All About DB2 Files ‎ →‎The nitty gritty
00:1300:13, 14 June 2023 diff hist +4,729‎ N All About DB2 Files ‎ Created page with "== The brass tacks == DB2 files encode & compress 3D molecule rotomers, sometimes referred to as conformations. DB2 files do not store the dihedral angles of rotomers, but instead the per-atom coordinates resulting from those angles Atoms of different rotomers whose coordinates overlap are merged together in db2 files (how this is done will be detailed more later), thus allowing DOCK to avoid double-calculating per-atom energies == The nitty gritty == DB2 is a text fo..."

19:2719:27, 13 June 2023 diff hist +114‎ Smallworld and Arthor Databases ‎ →‎Smallworld slides/presentations current
19:2419:24, 13 June 2023 diff hist +6‎ Smallworld and Arthor Databases ‎ →‎Smallworld Databases
19:2319:23, 13 June 2023 diff hist +157‎ Smallworld and Arthor Databases ‎No edit summary
19:2019:20, 13 June 2023 diff hist +171‎ Smallworld and Arthor Databases ‎No edit summary

22:2122:21, 31 May 2023 diff hist +91‎ Installing The 3D Pipeline ZINC22 ‎No edit summary current
22:2122:21, 31 May 2023 diff hist +2,380‎ N Installing The 3D Pipeline ZINC22 ‎ Created page with "Installation of the 3D pipeline is somewhat tricky- the environment is very particular about which versions of which software should be used. It is thus easiest to copy the exact software packages we use from our servers- this should work provided they are installed in a 64-bit linux architecture, though depending on the distribution certain shared libraries may be missing. == Setting up the installation root == First find a suitable directory which will serve as the r..."

18:5718:57, 18 May 2023 diff hist +85‎ TLDR ‎ →‎Making changes to modules & scripts current
18:5618:56, 18 May 2023 diff hist +119‎ TLDR ‎ →‎Making changes to modules & scripts
18:5518:55, 18 May 2023 diff hist +8‎ TLDR ‎ →‎How to open source code & make a change
18:5518:55, 18 May 2023 diff hist −12‎ TLDR ‎ →‎Technical info
18:5418:54, 18 May 2023 diff hist +1,752‎ TLDR ‎No edit summary

21:3821:38, 11 May 2023 diff hist +23‎ SUBDOCK DOCK3.8 ‎ →‎What's New?
21:3821:38, 11 May 2023 diff hist +238‎ SUBDOCK DOCK3.8 ‎ →‎What's New?
18:1718:17, 11 May 2023 diff hist −59‎ SUBDOCK DOCK3.8 ‎ →‎What's New?
17:5417:54, 11 May 2023 diff hist −1‎ SUBDOCK DOCK3.8 ‎ →‎Supported Platforms
17:5217:52, 11 May 2023 diff hist +42‎ SUBDOCK DOCK3.8 ‎ →‎Using Charity Engine
17:5117:51, 11 May 2023 diff hist +316‎ SUBDOCK DOCK3.8 ‎ →‎Supported Platforms
17:4917:49, 11 May 2023 diff hist +17‎ SUBDOCK DOCK3.8 ‎ →‎What's New?
17:4717:47, 11 May 2023 diff hist +244‎ SUBDOCK DOCK3.8 ‎ →‎What's New?
17:3617:36, 11 May 2023 diff hist +4‎ SUBDOCK DOCK3.8 ‎ →‎Supported Platforms
17:3517:35, 11 May 2023 diff hist +12‎ SUBDOCK DOCK3.8 ‎ →‎Supported Platforms
17:3517:35, 11 May 2023 diff hist 0‎ SUBDOCK DOCK3.8 ‎ →‎Supported Platforms
17:3417:34, 11 May 2023 diff hist +77‎ SUBDOCK DOCK3.8 ‎ →‎Supported Platforms

21:2121:21, 25 April 2023 diff hist +130‎ m SUBDOCK DOCK3.8 ‎ →‎Mixing DOCK 3.7 and DOCK 3.8 - known problems
20:5820:58, 25 April 2023 diff hist −193‎ SUBDOCK DOCK3.8 ‎No edit summary
20:5420:54, 25 April 2023 diff hist +456‎ SUBDOCK DOCK3.8 ‎ →‎Error Messages in my OUTDOCK!
20:4920:49, 25 April 2023 diff hist +38‎ SUBDOCK DOCK3.8 ‎ →‎Restartability
19:3019:30, 25 April 2023 diff hist +56‎ m SUBDOCK DOCK3.8 ‎ →‎Full Example - All Steps

23:5923:59, 21 April 2023 diff hist +174‎ SUBDOCK DOCK3.8 ‎No edit summary
20:3420:34, 21 April 2023 diff hist +41‎ SUBDOCK DOCK3.8 ‎ →‎What's New?
20:3120:31, 21 April 2023 diff hist +85‎ SUBDOCK DOCK3.8 ‎ →‎How to continue jobs
20:2920:29, 21 April 2023 diff hist +4‎ m SUBDOCK DOCK3.8 ‎ →‎How to continue jobs
20:2820:28, 21 April 2023 diff hist +178‎ SUBDOCK DOCK3.8 ‎ →‎How to continue jobs
20:2520:25, 21 April 2023 diff hist +1‎ m SUBDOCK DOCK3.8 ‎ →‎How to use for your Job Platform
20:2520:25, 21 April 2023 diff hist +402‎ SUBDOCK DOCK3.8 ‎ →‎Restartability
20:1620:16, 21 April 2023 diff hist +3‎ m SUBDOCK DOCK3.8 ‎ →‎Restartability
20:1520:15, 21 April 2023 diff hist +1‎ SUBDOCK DOCK3.8 ‎ →‎Restartability
20:1520:15, 21 April 2023 diff hist +1‎ SUBDOCK DOCK3.8 ‎ →‎Restartability
20:1520:15, 21 April 2023 diff hist +1,217‎ SUBDOCK DOCK3.8 ‎No edit summary
20:0120:01, 21 April 2023 diff hist +149‎ SUBDOCK DOCK3.8 ‎ →‎What's New?
19:5719:57, 21 April 2023 diff hist +18‎ SUBDOCK DOCK3.8 ‎ →‎Full Example - All Steps
19:5519:55, 21 April 2023 diff hist +1,051‎ SUBDOCK DOCK3.8 ‎ →‎SUBDOCK help splash - all argument descriptions & defaults

17:0617:06, 8 April 2023 diff hist +50‎ DOCK 3.8 ‎No edit summary current
17:0517:05, 8 April 2023 diff hist −17‎ How to compile DOCK ‎ →‎PGF License Error & Other Scruples current
17:0517:05, 8 April 2023 diff hist +65‎ How to compile DOCK ‎ →‎compiling dock3.8

22:0222:02, 27 March 2023 diff hist +22‎ Repackaging DB2 DOCK38 ‎No edit summary current
21:5921:59, 27 March 2023 diff hist +439‎ Repackaging DB2 DOCK38 ‎No edit summary

19:5519:55, 22 March 2023 diff hist +152‎ OCI:Create account ‎ →‎policies
19:5419:54, 22 March 2023 diff hist +1,216‎ OCI:Create account ‎No edit summary

18:1118:11, 16 March 2023 diff hist +302‎ Repackaging DB2 DOCK38 ‎No edit summary
18:0518:05, 16 March 2023 diff hist +213‎ Repackaging DB2 DOCK38 ‎No edit summary

18:1118:11, 9 March 2023 diff hist +272‎ Building The 3D Pipeline ZINC22 ‎ →‎Software Options current
18:0718:07, 9 March 2023 diff hist +47‎ ZINC22:Building 3D ‎ Redirected page to Building The 3D Pipeline ZINC22 current Tag: New redirect
18:0618:06, 9 March 2023 diff hist 0‎ ZINC-22:3D Building ‎ Changed redirect target from Building the 3D Pipeline ZINC22 to Building The 3D Pipeline ZINC22 current Tag: Redirect target changed
18:0618:06, 9 March 2023 diff hist +3‎ ZINC-22:3D Building ‎ Redirected page to Building the 3D Pipeline ZINC22 Tag: New redirect
18:0518:05, 9 March 2023 diff hist −2,188‎ ZINC-22:3D Building ‎ Replaced content with "#REDIRECT[Building the 3D Pipeline ZINC22]" Tag: Replaced

20:5720:57, 7 March 2023 diff hist −421‎ SUBDOCK DOCK3.8 ‎ →‎SUBDOCK help splash - all argument descriptions & defaults

04:5204:52, 3 March 2023 diff hist −36‎ How to install DOCK 3.8 ‎ →‎Compiling from source current
04:5104:51, 3 March 2023 diff hist +395‎ How to install DOCK 3.8 ‎No edit summary
04:4604:46, 3 March 2023 diff hist +132‎ How to install DOCK 3.8 ‎ →‎Prebuilt Executable
04:4404:44, 3 March 2023 diff hist +7‎ How to install DOCK 3.8 ‎ →‎Prebuilt Executable
04:3404:34, 3 March 2023 diff hist +94‎ Docking Analysis in DOCK3.8 ‎ →‎Usage current
04:3404:34, 3 March 2023 diff hist +232‎ Docking Analysis in DOCK3.8 ‎ →‎Usage

21:4521:45, 2 March 2023 diff hist +22‎ Building The 3D Pipeline ZINC22 ‎No edit summary
21:4121:41, 2 March 2023 diff hist +58‎ DOCK 3.8 ‎No edit summary
21:4021:40, 2 March 2023 diff hist +294‎ DOCK 3.8 ‎No edit summary
21:3421:34, 2 March 2023 diff hist +23‎ SUBDOCK DOCK3.8 ‎No edit summary
21:3321:33, 2 March 2023 diff hist +1‎ Repackaging DB2 DOCK38 ‎No edit summary
21:3321:33, 2 March 2023 diff hist +22‎ Repackaging DB2 DOCK38 ‎No edit summary
21:3221:32, 2 March 2023 diff hist +22‎ DOCK 3.8 ‎No edit summary
21:3021:30, 2 March 2023 diff hist +21‎ Docking Analysis in DOCK3.8 ‎ →‎Conda Environment
21:3021:30, 2 March 2023 diff hist −114‎ Docking Analysis in DOCK3.8 ‎ →‎Location of new scripts/Install Instructions
21:2621:26, 2 March 2023 diff hist 0‎ SUBDOCK DOCK3.8 ‎No edit summary
21:2521:25, 2 March 2023 diff hist +543‎ SUBDOCK DOCK3.8 ‎No edit summary
21:1821:18, 2 March 2023 diff hist +3‎ Docking Analysis in DOCK3.8 ‎ →‎Location of new scripts/Install Instructions
21:0721:07, 2 March 2023 diff hist +2‎ Docking Analysis in DOCK3.8 ‎ →‎Conda Environment
21:0221:02, 2 March 2023 diff hist −313‎ Docking Analysis in DOCK3.8 ‎ →‎Manual Install
21:0221:02, 2 March 2023 diff hist −2,105‎ Docking Analysis in DOCK3.8 ‎ →‎Python 3.8+
20:5920:59, 2 March 2023 diff hist −4‎ Docking Analysis in DOCK3.8 ‎No edit summary
20:5920:59, 2 March 2023 diff hist +204‎ Docking Analysis in DOCK3.8 ‎ →‎Python 3.8
20:5520:55, 2 March 2023 diff hist +26‎ How to install DOCK 3.8 ‎No edit summary
20:5420:54, 2 March 2023 diff hist +207‎ How to install DOCK 3.8 ‎No edit summary
20:4020:40, 2 March 2023 diff hist +24‎ Main Page ‎No edit summary current
20:3720:37, 2 March 2023 diff hist +11‎ DOCK 3.8 ‎No edit summary
20:3420:34, 2 March 2023 diff hist −2‎ Building The 3D Pipeline ZINC22 ‎No edit summary
20:3320:33, 2 March 2023 diff hist +387‎ Building The 3D Pipeline ZINC22 ‎No edit summary
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..."

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

00:0400:04, 10 February 2023 diff hist +309‎ Building The 3D Pipeline ZINC22 ‎ →‎Job Submission Arguments

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

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

18:1618:16, 1 February 2023 diff hist +3‎ SUBDOCK DOCK3.8 ‎No edit summary

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

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..."

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

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

19:3019:30, 18 October 2022 diff hist +7‎ Add Tools18 module ‎No edit summary current

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

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

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

22:5422:54, 8 August 2022 diff hist −219‎ Building The 3D Pipeline ZINC22 ‎ →‎Running The Script

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..."

21:0721:07, 2 August 2022 diff hist +60‎ AWS:Submit docking job ‎ →‎Alternative DOCK Executable

20:2420:24, 29 July 2022 diff hist +147‎ AWS:Merge and download results ‎No edit summary

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

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

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

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..."

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

18:0918:09, 30 June 2022 diff hist +215‎ Legacy IDs in ZINC22 ‎No edit summary current

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

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

00:0500:05, 24 June 2022 diff hist +1,379‎ AWS:Submit docking job ‎No edit summary

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

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