All public logs

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).

• 21:15, 21 March 2025 Khtang talk contribs changed group membership for Sstrizhov from (none) to administrator
• 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 User account Sstrizhov talk contribs was created by Khtang talk contribs and password was sent by email (serge's account)
• 19:48, 7 January 2025 Khtang talk contribs created page User:Sstrizhov (Creating user page for new user.)
• 19:48, 7 January 2025 Khtang talk contribs created page User talk:Sstrizhov (Welcome!)
• 21:53, 18 March 2024 Khtang talk contribs created page Renew Schrodinger Licenses (Created page with "'''<big>Cluster 0 and 2 licenses are expired on March 15th annually. </br> Contact licensing@schrodinger.com (CC John and Brian) and tell them that you are from Shoichet Lab and would like to renew TWO licenses. They will send the Cluster 0 license to John and Cluster 2 license to Brian</big>''' === Get License File === Get the email about Schrodinger license keys ready for retrieval from John or Brian.</br> Click the link that said '''please user this form to generate...")
• 00:05, 22 February 2024 Khtang talk contribs deleted page Notes from first attempt at globus (content was: "https://www.globus.org/globus-connect-server In an attempt to install Globus Connect Server, here is my notes of what I have done so far. Note: I have tried installed Globus on gimel2, tau. So far no luck getting it working Detail complete guide https://docs.globus.org/globus-connect-server-installation-guide/ https://www.h3abionet.org/images/Technical_guides/L2_04_How_To_Setup_and_Configure_Globus_Connect_Endpoint_V1.5.pdf === Open required TCP Ports === ==== Check if FQ...")
• 22:20, 15 February 2024 Khtang talk contribs moved page Schrodinger notes to Schrodinger
• 21:11, 13 February 2024 Khtang talk contribs created page MediaWiki:Sidebar (Created page with " * navigation ** [https://calendar.google.com/calendar/u/6/embed?src=90hc5i060oggekk2s3c8sluf4g@group.calendar.google.com&pvttk=b015223b9cc576dce92e6cc7698935cd&csspa=1 BKS Calendar] ** mainpage|mainpage-description ** recentchanges-url|recentchanges ** randompage-url|randompage ** helppage|help-mediawiki * SEARCH * TOOLBOX * LANGUAGES")
• 21:08, 13 February 2024 Khtang talk contribs changed group membership for Bks.labmanager from (none) to interface administrator
• 20:44, 13 February 2024 Khtang talk contribs blocked 小千代我老婆 talk contribs with an expiration time of indefinite (account creation disabled)
• 19:45, 22 November 2023 User account Bks.labmanager talk contribs was created by Khtang talk contribs and password was sent by email
• 19:45, 22 November 2023 Khtang talk contribs created page User:Bks.labmanager (Creating user page for new user.)
• 19:45, 22 November 2023 Khtang talk contribs created page User talk:Bks.labmanager (Welcome!)
• 20:57, 20 September 2023 Khtang talk contribs created page Chemistry commons Notes (Created page with "== Database Management == Source chemistry commons source /nfs/soft/anaconda3/bin/activate ~khtang/.conda/envs/chemcommons === Import data from Spreadsheet === ** This will be deprecated once we switched to use postgres bash /nfs/home/khtang/work/gitlab/ChemistryCommons-2-0/CC_load_scripts/load_common.bash import mem2 [Reactions_Reference_Spreadsheet.xlsx] === Export Chemistry Commons DB === Run this script to create a snapshot of the database and JSON files for Enum...")
• 22:32, 13 March 2023 Khtang talk contribs created page LUNA (Created page with "'''LUNA''' is drug discovery Python toolkit developed by Keiser Lab at UCSF Github repo https://github.com/keiserlab/LUNA == Install Instruction == If you have trouble following LUNA's conda environment setup instruction, try this conda create -n luna-env -c schrodinger pymol -y conda activate luna-env conda install -c conda-forge rdkit seaborn openbabel pip xopen colorlog networkx -y pip install mmh3==2.5.1 pip install biopython==1.72 BKS Cluster has LUNA conda...")
• 06:18, 4 November 2022 Khtang talk contribs created page Slurm Installation Guide (Created page with "This page will show you how to setup and configure a Slurm queueing system. Useful link: https://wiki.fysik.dtu.dk/Niflheim_system/Slurm_installation/ == Pre-installation ==...")
• 22:39, 1 September 2022 User account Omailhot talk contribs was created by Khtang talk contribs and password was sent by email
• 22:39, 1 September 2022 Khtang talk contribs created page User:Omailhot (Creating user page for new user.)
• 22:39, 1 September 2022 Khtang talk contribs created page User talk:Omailhot (Welcome!)
• 05:29, 9 August 2022 Khtang talk contribs moved page TLDR:Swbatch to TLDR:swbatch without leaving a redirect
• 05:29, 9 August 2022 Khtang talk contribs moved page TLDR:Strain to TLDR:strain without leaving a redirect
• 05:29, 9 August 2022 Khtang talk contribs moved page TLDR:Newbuild3d to TLDR:newbuild3d without leaving a redirect
• 05:29, 9 August 2022 Khtang talk contribs moved page TLDR:Extrema to TLDR:extrema without leaving a redirect
• 05:28, 9 August 2022 Khtang talk contribs moved page TLDR:DUDE-Z to TLDR:dude-z without leaving a redirect
• 05:28, 9 August 2022 Khtang talk contribs moved page TLDR:Bootstrap2 to TLDR:bootstrap2
• 05:28, 9 August 2022 Khtang talk contribs moved page TLDR:Bootstrap1 to TLDR:bootstrap1 without leaving a redirect
• 05:27, 9 August 2022 Khtang talk contribs moved page TLDR:Bioisostere to TLDR:bioisostere without leaving a redirect
• 05:26, 9 August 2022 Khtang talk contribs moved page TLDR:Arthorbatch to TLDR:arthorbatch without leaving a redirect
• 06:15, 8 August 2022 Khtang talk contribs created page TLDR:Swbatch (Created page with "== Purpose == Running multiple queries on SmallWorld. See https://sw.docking.org/search.html == Inputs == * molecules.ism == Outputs == TBD == Notes == TBD")
• 06:12, 8 August 2022 Khtang talk contribs created page TLDR:Newbuild3d (Created page with "== Purpose == Prepare a 3D library for docking with '''DOCK3.8''' pipeline in several formats used by popular docking programs: sdf, db2, mol2, pdbqt, solv == Inputs == * mol...")
• 05:37, 8 August 2022 Khtang talk contribs created page TLDR:Extrema (Created page with "== Purpose == Generate an equivalent number of charged (-2, -1, 0, +1, +2) molecules in the molecular weight and cLogP property space of your input SMILES molecules. These cha...")
• 05:32, 8 August 2022 Khtang talk contribs created page TLDR:Bootstrap2 (Created page with "== Purpose == Get 95% confidence interval from bootstrapping. == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD")
• 05:30, 8 August 2022 Khtang talk contribs created page TLDR:Bootstrap1 (Created page with "== Purpose == Compare performance of 2 docking methods with p value == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD")
• 05:20, 8 August 2022 Khtang talk contribs created page TLDR:Strain (Created page with "== Purpose == This strain filter software is a fast and reliable approach to calculate the strain energy of millions of small molecules. == Inputs == * mol2 file contains mole...")
• 04:55, 8 August 2022 Khtang talk contribs created page TLDR:DUDE-Z (Created page with "== Purpose == Assemble decoys for docking using the DUDEZ approach. See https://dudez.docking.org for sample data == Inputs == * Ligands provided in smiles format (actives.sm...")
• 04:45, 8 August 2022 Khtang talk contribs created page TLDR:Bioisostere (Created page with "== Purpose == To find analogs of your active compounds that you can use to explore SAR by catalogs around your hits. == Inputs == * a starting molecule in txt file (one at a...")
• 17:53, 5 August 2022 User account Jocastanon talk contribs was created by Khtang talk contribs and password was sent by email
• 17:53, 5 August 2022 Khtang talk contribs created page User:Jocastanon (Creating user page for new user.)
• 17:53, 5 August 2022 Khtang talk contribs created page User talk:Jocastanon (Welcome!)
• 21:54, 4 August 2022 Khtang talk contribs created page Dimorphite-DL (Created page with "'''Dimorphite-DL is an open-source software for enumerating ionization states of molecules created by [https://durrantlab.pitt.edu/ Durrant Lab] at University of Pittsburgh.''...")
• 22:52, 25 July 2022 Khtang talk contribs uploaded File:Target vs target.png
• 22:52, 25 July 2022 Khtang talk contribs created page File:Target vs target.png
• 22:51, 25 July 2022 Khtang talk contribs uploaded File:Compound vs target.png
• 22:51, 25 July 2022 Khtang talk contribs created page File:Compound vs target.png
• 22:51, 25 July 2022 Khtang talk contribs created page File:Compound vs library.png
• 22:51, 25 July 2022 Khtang talk contribs uploaded File:Compound vs library.png
• 22:45, 12 April 2022 Khtang talk contribs created page Chemspace API (Created page with "This is a quick guide on how to use Chemspace API to get pricing information. Link to Chem-space's API https://api.chem-space.com/docs/ == Email info@chem-space.com to obtain...")
• 21:52, 8 April 2022 Khtang talk contribs moved page Tools18 to TLDR