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• 20:09, 4 October 2024 Jgutierrez6 talk contribs deleted page How to download zinc-22 using rsync (Redundant)
• 20:09, 4 October 2024 Jgutierrez6 talk contribs created page How To Use Rsync (Created page with "== How to download zinc-22 using rsync == Ok, you can try this rsync -Larv --include='*/' --include='[a-z]/H[01]?*-*db2.tgz' --exclude='sets' --exclude='*' --verbose rsync://files.docking.org/ZINC22-3D/zinc-22<?> . (all on one line) where <?> is d g h i k l m n o p q r s t u v x n is 50% of the database x is 25% g is "informer set" This will get you all molecules in the "?" layer of ZINC-22. with the db2 format. If you want sdf, mol2 or pdbqt, just change db2...")
• 22:11, 2 October 2024 Sevigneron talk contribs created page IFP Filtering on Wynton (Created page with "Seth Vigneron Oct 2024 IFP filtering on wynton proceeds in almost the exact same way as on our gimel cluster. Note the conda environment sourced uses the same older versions of python and LUNA as JK's original scripts on gimel, so wynton is not using any updated versions of any software and still runs the same IFP protocol. 1. Run getposes script following your screen. 2. Make split mol2 files to be run in parallel ls $PWD/poses_extract_for_getposes_parallel_*mol2 >")
• 20:55, 24 September 2024 Frodo talk contribs created page News of 2024-10 Oct (asdf)
• 20:52, 24 September 2024 Frodo talk contribs moved page News of June-2024 to News of 2024-06 Jun
• 20:52, 24 September 2024 Frodo talk contribs deleted page News of 2024-06 Jun (content was: "This is a news update for June 2024. * we fixed a typo bug in the cartblanche22 download scripts. * we pushed more molecules to "/zinc-22y/" including H20 and H21. More to come soon. Category:News", and the only contributor was "Frodo" (talk))
• 20:51, 24 September 2024 Frodo talk contribs moved page News of Aug-2024 to News of 2024-08 Aug
• 20:51, 24 September 2024 Frodo talk contribs moved page News 2024-06 Jun to News of 2024-06 Jun
• 20:50, 24 September 2024 Frodo talk contribs moved page News June-2024 to News 2024-06 Jun
• 20:50, 24 September 2024 Frodo talk contribs moved page News of Sep-2024 to News of 2024-09 Sept
• 20:50, 24 September 2024 Frodo talk contribs moved page News May-2024 to News of 2024-05 May
• 20:49, 24 September 2024 Frodo talk contribs moved page ZINC-22 rearrangement of May-24 to ZINC-22 rearrangement of May-2024
• 20:49, 24 September 2024 Frodo talk contribs moved page News June-24 to News June-2024
• 20:48, 24 September 2024 Frodo talk contribs moved page News May-24 to News May-2024
• 20:48, 24 September 2024 Frodo talk contribs moved page News of Aug-24 to News of Aug-2024
• 20:48, 24 September 2024 Frodo talk contribs moved page News of June-24 to News of June-2024
• 20:48, 24 September 2024 Frodo talk contribs moved page News of Sep-24 to News of Sep-2024
• 19:06, 19 September 2024 Zdingman talk contribs created page Zoey's way of filtering LSD (Created page with "This is my current method (2024-09) of filtering LSD results, and the culmination of discussion with several other lab members to determine the "best" way to filter LSD results. Procedures below are adapted from various other lab sources. '''Step 0: Source the environment and copy over relevant files''' '''Step 1: Interaction fingerprinting''' '''Step 2: Novelty filtering''' I've been making use of Olivier's method for novelty, which can be Olivier's way of computin...")
• 20:37, 16 September 2024 Frodo talk contribs created page ZINC22:Credits (first version)
• 18:01, 28 August 2024 Frodo talk contribs created page News of Sep-24 (asdf)
• 01:19, 15 August 2024 Frodo talk contribs created page Category:Mar (sdfg)
• 01:19, 15 August 2024 Frodo talk contribs created page Category:Tin (asdf)
• 01:18, 15 August 2024 Frodo talk contribs created page Category:Antimony (asdf)
• 18:23, 9 August 2024 Frodo talk contribs created page News of Aug-24 (asdf)
• 14:56, 29 July 2024 Frodo talk contribs created page TLDR:dudez (adsf)
• 23:37, 16 July 2024 Jgutierrez6 talk contribs created page Moving HTTPD From One Machine to Another (Created page with "= Introduction = Here are instructions on how to migrate httpd functions to another machine. Main example is migrating from CentOS 7 to Rocky Linux 8. = Instructions =")
• 20:03, 9 July 2024 Jgutierrez6 talk contribs created page How To Purchase Simple Items in BearBuy (Created page with "= Introduction = Here are instructions on how to purchase simple catalog items in BearBuy. = Instructions = #Go the [https://myaccess.ucsf.edu/landing MyAccess] and find then click "BearBuy". #")
• 23:39, 19 June 2024 Frodo talk contribs created page News of June-24 (asdf)
• 23:35, 19 June 2024 Frodo talk contribs created page News (asdf) Tag: New redirect
• 23:02, 19 June 2024 Frodo talk contribs created page All services (asdf)
• 19:38, 18 June 2024 Jocastanon talk contribs created page Tin Manager (Created page with "Tin Manager is a web application that allows changing the information in the Zinc22Commons database on the fly, for both tin and antimony machines. The front end runs on epyc:3001 and the backend on epyc:5002. This app is not publicly available, so you must open an ssh tunnel from gimel/portal3 to epyc:3001 in order to access it. Category:Zinc22 Category:Mar Category:Software Category:Tin Category:Antimony")
• 22:30, 11 June 2024 Jgutierrez6 talk contribs created page User talk:Zdingman (Welcome!)
• 22:30, 11 June 2024 Jgutierrez6 talk contribs created page User:Zdingman (Creating user page for new user.)
• 22:30, 11 June 2024 User account Zdingman talk contribs was created by Jgutierrez6 talk contribs and password was sent by email
• 18:12, 6 June 2024 Frodo talk contribs created page Work with read the docs (asdf)
• 17:40, 6 June 2024 Frodo talk contribs created page How to avoid machines on slurm (asfd)
• 22:07, 3 June 2024 Frodo talk contribs created page Category:How to be (asdf)
• 00:24, 1 June 2024 Frodo talk contribs created page How to be John (asdf)
• 00:23, 1 June 2024 Frodo talk contribs created page How to be me (asdf)
• 23:22, 31 May 2024 Frodo talk contribs created page What is the best way to (asdf)
• 21:56, 31 May 2024 Frodo talk contribs created page User talk:Kyle (Welcome!)
• 21:56, 31 May 2024 Frodo talk contribs created page User:Kyle (Creating user page for new user.)
• 21:56, 31 May 2024 User account Kyle talk contribs was created by Frodo talk contribs and password was sent by email (welcome!)
• 20:16, 30 May 2024 Frodo talk contribs created page News June-24 (asdf)
• 00:32, 25 May 2024 Frodo talk contribs created page Category:Analogs (asdf)
• 00:27, 25 May 2024 Frodo talk contribs moved page AWS to AWS General Notes without leaving a redirect (rational)
• 00:23, 25 May 2024 Frodo talk contribs created page Category:Scoring (asdf)
• 00:21, 25 May 2024 Frodo talk contribs created page Category:Spheres (asdf)
• 00:16, 25 May 2024 Frodo talk contribs deleted page Talk:Old Main (Deleted together with the associated page with reason: content was: "<div id="mainpage"></div><!-- -->__NOTOC__ Welcome to DISI, documentation of the software, databases and methods of the Shoichet Lab and the fields of molecular docking and cheminformatics for systems pharmacology. We invite you to contribute once you create an account and log in to ensure proper attributions. Eligible topics include [[:Catego...)
• 00:16, 25 May 2024 Frodo talk contribs deleted page Old Main (content was: "<div id="mainpage"></div><!-- -->__NOTOC__ Welcome to DISI, documentation of the software, databases and methods of the Shoichet Lab and the fields of molecular docking and cheminformatics for systems pharmacology. We invite you to contribute once you create an account and log in to ensure proper attributions. Eligible topics include free and :Category:commercial | commerci...")