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Combined display of all available logs of DISI. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
- 19:09, 21 February 2025 Frodo talk contribs created page ML (asdf) Tag: New redirect
- 19:09, 21 February 2025 Frodo talk contribs created page AI (asdf)
- 19:07, 21 February 2025 Frodo talk contribs created page SwitchyOmega (asdf)
- 19:06, 21 February 2025 Frodo talk contribs created page Category:Maintenance (asdf)
- 19:05, 21 February 2025 Frodo talk contribs created page Category:Pages needing to be written (asdf)
- 18:21, 21 February 2025 Frodo talk contribs created page Currently in progress (asdf) Tag: New redirect
- 18:20, 21 February 2025 Frodo talk contribs deleted page Currently in progress (reorg)
- 18:11, 21 February 2025 Frodo talk contribs created page Multi component query (asdf)
- 17:28, 21 February 2025 Frodo talk contribs created page Gitlab (asdf)
- 17:26, 21 February 2025 Frodo talk contribs created page New lab members (asdf) Tag: New redirect
- 17:26, 21 February 2025 Frodo talk contribs deleted page New Lab Members (duplication)
- 20:13, 18 February 2025 Jocastanon talk contribs moved page Search zinc22.py to Init partitioned search.py (aka Search zinc22.py) (Added wrapper script for splitting into tranches)
- 15:25, 17 February 2025 Frodo talk contribs moved page News of 2024-02 Feb to News of 2025-02 Feb without leaving a redirect
- 21:08, 11 February 2025 Mtsukanov talk contribs created page How to be Max (Created page with "- Look at guide in https://docs.google.com/document/d/1b5BvlcbFbhpbc3ZJQ3ehd1ussrMTcd2UyMEk7yXi58I/edit?usp=sharing")
- 00:46, 11 February 2025 Frodo talk contribs created page News of 2024-02 Feb (asdf)
- 19:55, 6 February 2025 Frodo talk contribs created page How to be someone (asdf)
- 19:54, 6 February 2025 Frodo talk contribs deleted page How to be someone (content was: "This page collects references to articles about "how to be ..." a particular person. They document protocols, procedures, and information that otherwise does not seem to have found a home. Category:Sysadmin", and the only contributor was "Frodo" (talk))
- 19:52, 6 February 2025 Frodo talk contribs created page Code to report wynton usage by year (asdf)
- 18:55, 5 February 2025 Frodo talk contribs created page INDOCK 3.8 (asdf)
- 19:11, 30 January 2025 Frodo talk contribs created page Category:In progress (asdf)
- 19:10, 30 January 2025 Frodo talk contribs created page Things we are trying (asdf)
- 01:14, 30 January 2025 Frodo talk contribs created page Category:Protocols (asdf)
- 01:14, 30 January 2025 Frodo talk contribs created page Protocols (asdf)
- 20:17, 24 January 2025 Khtang talk contribs created page CHARMM (Created page with "CHARMM is a molecular simulation software from Harvard. = Install CHARMM = == Requirements == gcc --version * Upgrade to at least GCC 7 ( if need) https://linuxhostsupport.com/blog/how-to-install-gcc-on-centos-7/ * Upgrade Cmake (version 3+) Please make sure that you are using the same C and Fortran compiler version for these dependencies below otherwise CHARMM won’t compile wget https://cmake.org/files/v3.20/cmake-3.20.5.tar.gz tar xvzf cmake-3.20.5.tar.gz cd...")
- 07:51, 14 January 2025 Khtang talk contribs moved page Add Tools18 module to Add TLDR module without leaving a redirect
- 19:48, 7 January 2025 Khtang talk contribs created page User talk:Sstrizhov (Welcome!)
- 19:48, 7 January 2025 Khtang talk contribs created page User:Sstrizhov (Creating user page for new user.)
- 19:48, 7 January 2025 User account Sstrizhov talk contribs was created by Khtang talk contribs and password was sent by email (serge's account)
- 18:50, 8 December 2024 Frodo talk contribs created page Zinc-22r (asdf)
- 21:55, 6 December 2024 Omailhot talk contribs created page Small change analogs (Created page with "'''Step 0: source my environment''' All I'm developing is part of a single Python package called bksltk (BKS-lab Toolkit). So just source my Python environment on gimel2 (or other gimelX which has Python3) and you'll have access to everything: source /nfs/home/omailhot/pyenv_source.sh Then, you can use the get_all_analogs_smiles_set() method from the toolkit, which will return all smiles of small change analogs, starting from a single smiles string: from bksltk.an...")
- 23:42, 26 November 2024 Frodo talk contribs created page Getting resh up (asdf)
- 19:45, 26 November 2024 Omailhot talk contribs created page Combinatorial analogs (Created page with "Here's an example of how to generate combinatorial analogs from the same parent. Make sure to source my environment first: source /nfs/home/omailhot/pyenv_source.sh Then, you will want to create a .png file of your parent with standard numbering on it. We'll use etomidate in this example: from bksltk.analogs import write_numbered_parent_png, make_analogs_combinations eto_smiles = 'CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2' write_numbered_parent_png(eto_smiles, 'test_p...")
- 16:33, 22 November 2024 Frodo talk contribs created page News of 2024-12 Dec (asdf)
- 16:27, 22 November 2024 Frodo talk contribs moved page ZINC-news-2010 to News of 2010-06
- 16:26, 22 November 2024 Frodo talk contribs moved page ZINC-22:Revision of Feb 23 to News of 2023-02 Feb
- 16:25, 22 November 2024 Frodo talk contribs moved page ZINC-22 news of Mar-22 to News of 2022-03 Mar
- 16:25, 22 November 2024 Frodo talk contribs moved page ZINC-22 news of Feb-22 to News of 2022-02 Feb
- 16:24, 22 November 2024 Frodo talk contribs moved page ZINC-22 news of Jan-22 to News of 2021-12 Dec
- 16:24, 22 November 2024 Frodo talk contribs moved page News of 2021-01 Jan to News of 2022-01 Jan
- 16:23, 22 November 2024 Frodo talk contribs moved page ZINC-22 Clean Up in Jan 2022 to News of 2021-01 Jan
- 16:22, 22 November 2024 Frodo talk contribs moved page News of Nov-24 to News of 2024-11 Nov
- 14:18, 22 November 2024 Frodo talk contribs created page Large scale docking strategy (asdf)
- 19:08, 14 November 2024 Frodo talk contribs created page News of Nov-24 (asdf)
- 17:26, 1 November 2024 Frodo talk contribs created page Friendly reminder (asdf)
- 23:10, 21 October 2024 Frodo talk contribs created page Transition to cluster 7 (asd)
- 22:06, 18 October 2024 Jocastanon talk contribs moved page ZINC20Warehousing Scripts to ZINC20 Warehousing Scripts
- 22:06, 18 October 2024 Jocastanon talk contribs moved page ZINC15 Warehousing Scripts to ZINC20Warehousing Scripts (Accidentally tagged as Zinc15)
- 22:05, 18 October 2024 Jocastanon talk contribs created page ZINC15 Warehousing Scripts (Created page with "<div id="mainpage"></div><!--")
- 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...")