User contributions for Btingle
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15 March 2022
- 19:4519:45, 15 March 2022 diff hist +24 How to dock in DOCK3.8 →Developer Example: Running jobs from scratch
- 19:4319:43, 15 March 2022 diff hist +10 How to dock in DOCK3.8 →Examples
- 19:4219:42, 15 March 2022 diff hist −684 How to dock in DOCK3.8 →Submitting Jobs/Running the Script
- 19:4119:41, 15 March 2022 diff hist +14 How to dock in DOCK3.8 →Differences from DOCK.3.7
- 19:2619:26, 15 March 2022 diff hist +22 How to dock in DOCK3.8 →Installation/Download
- 19:2519:25, 15 March 2022 diff hist −43 How to dock in DOCK3.8 →Installation/Download
- 19:2019:20, 15 March 2022 diff hist +18 How to dock in DOCK3.8 →Examples
- 19:1819:18, 15 March 2022 diff hist +36 How to dock in DOCK3.8 →Examples
- 19:0519:05, 15 March 2022 diff hist 0 How to dock in DOCK3.8 →Examples
- 19:0219:02, 15 March 2022 diff hist +174 How to dock in DOCK3.8 →Installation/Download
10 March 2022
- 00:3200:32, 10 March 2022 diff hist +650 AWS:Set up account →Example: Setting up your first awsdock environment
3 March 2022
- 22:3122:31, 3 March 2022 diff hist +107 AWS:Set up account →Getting Started
24 January 2022
- 22:4122:41, 24 January 2022 diff hist +19 Building The 3D Pipeline ZINC22 →Setup Instructions
- 22:3922:39, 24 January 2022 diff hist +49 Building The 3D Pipeline ZINC22 →Setup Instructions
- 22:3522:35, 24 January 2022 diff hist +224 Building The 3D Pipeline ZINC22 →Running The Script
- 22:3222:32, 24 January 2022 diff hist +128 Building The 3D Pipeline ZINC22 →Running The Script
20 January 2022
- 20:3720:37, 20 January 2022 diff hist +1,943 AWS:Set up account No edit summary
- 19:4919:49, 20 January 2022 diff hist +113 AWS:Set up account No edit summary
- 19:4519:45, 20 January 2022 diff hist +3,887 AWS:Set up account No edit summary
- 07:2507:25, 20 January 2022 diff hist −251 AWS:Set up account →aws configure
- 07:2307:23, 20 January 2022 diff hist +194 AWS:Set up account →aws configure
- 04:2704:27, 20 January 2022 diff hist +2,582 N AWS:Set up account Created page with "This page pertains to the scripts created by Benjamin Tingle to set up an environment for running DOCK workloads in AWS. WIP: Not complete, just saving progress = Getting S..."
2 December 2021
- 23:1823:18, 2 December 2021 diff hist +18 AWS Auto Scaling No edit summary current
- 23:1723:17, 2 December 2021 diff hist +18 AWS No edit summary current
- 23:1723:17, 2 December 2021 diff hist +47 N Category:AWS Created page with "Tutorials relating to using Amazon web services"
- 23:1623:16, 2 December 2021 diff hist +18 Docking in AWS With DOCK 3.8 No edit summary current
- 23:1623:16, 2 December 2021 diff hist +18 Pushing Docker Image To AWS No edit summary current
- 23:1423:14, 2 December 2021 diff hist +2,975 N Pushing Docker Image To AWS Using the aws cli to upload a docker image to AWS ECR (elastic container registry)
25 August 2021
24 August 2021
- 01:2701:27, 24 August 2021 diff hist +1,513 N 3D Pipeline Explanation Created page with "From email to Seth: The way the output file from the tautprot_cxcalc.sh step looks like current is this: [smiles] [zinc id] [protomer id] The script generates multiple file..." current
10 August 2021
- 19:4719:47, 10 August 2021 diff hist +296 N 3D In Cori Created page with "Cori has some unconventional requirements for submitting jobs, I'll relay those here: <nowiki> --constraint=haswell --qos=regular (time limit 24 hours) --qos=debug (time l..." current
27 July 2021
- 17:1317:13, 27 July 2021 diff hist +13 Docking Analysis in DOCK3.8 →Location of new scripts/Install Instructions
- 17:1017:10, 27 July 2021 diff hist −165 Docking Analysis in DOCK3.8 →Location of new scripts/Install Instructions
- 17:0917:09, 27 July 2021 diff hist +7 m Docking Analysis in DOCK3.8 →Location of new scripts/Install Instructions
- 17:0617:06, 27 July 2021 diff hist +2 m Docking Analysis in DOCK3.8 →Location of new scripts/Install Instructions
- 17:0617:06, 27 July 2021 diff hist +16 Docking Analysis in DOCK3.8 →Location of new scripts/Install Instructions
- 17:0317:03, 27 July 2021 diff hist +90 DOCK 3.7 →Tutorials current
- 17:0117:01, 27 July 2021 diff hist +109 How to dock in DOCK3.8 No edit summary
- 16:4516:45, 27 July 2021 diff hist +16 How to dock in DOCK3.8 →Running the Script
2 June 2021
- 19:4719:47, 2 June 2021 diff hist −2 Docking in AWS With DOCK 3.8 →Misc: Configuring Launch Template with Dockerhub credentials
28 May 2021
- 19:0219:02, 28 May 2021 diff hist +2,240 N Python DOCK3.8 Created page with "Python is used extensively in DOCK 3.8 scripts, and multiple versions of python are required to run the full suite of software. == top_poses.py : Python 3.8 == $DOCKBASE/ana..." current
15 May 2021
- 21:1921:19, 15 May 2021 diff hist +182 m Docking in AWS With DOCK 3.8 →Optional: AWS credentials
- 21:1521:15, 15 May 2021 diff hist +210 m Docking in AWS With DOCK 3.8 →Optional: AWS credentials
14 May 2021
- 18:5618:56, 14 May 2021 diff hist +72 Docking in AWS With DOCK 3.8 →S3_INPUT_LOCATION
- 18:5418:54, 14 May 2021 diff hist +97 Docking in AWS With DOCK 3.8 →Misc: Configuring Launch Template with Dockerhub credentials
- 18:5318:53, 14 May 2021 diff hist −10 m Docking in AWS With DOCK 3.8 →Misc: Configuring Launch Template with Dockerhub credentials
- 18:5118:51, 14 May 2021 diff hist +168 Docking in AWS With DOCK 3.8 →Misc: Configuring Launch Template with Dockerhub credentials
- 18:4818:48, 14 May 2021 diff hist +2 Docking in AWS With DOCK 3.8 →Misc: Configuring Launch Template with Dockerhub credentials
- 18:2718:27, 14 May 2021 diff hist +1,938 Docking in AWS With DOCK 3.8 No edit summary
11 May 2021
- 19:0519:05, 11 May 2021 diff hist +165 Docking in AWS With DOCK 3.8 No edit summary