All public logs

Jump to navigation Jump to search

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).

Logs
(newest | oldest) View (newer 20 | ) (20 | 50 | 100 | 250 | 500)
  • 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...")
  • 21:26, 22 February 2024 Frodo talk contribs created page How to release DOCK (asdf) Tag: New redirect
  • 21:26, 22 February 2024 Frodo talk contribs deleted page How to release DOCK (content was: "To release DOCK: * log in as root to dock.compbio.ucsf.edu aka bksmailman. e.g. from gimel2. * bksmailman is canonical, and pw is based on c2 * cd to /var/www/html/distributions * the active version of dock 3.8 is dock.3.8_source.tar.gz which currently points to pydock3-1.0.0.tar.gz * suggest you upload as pydock3-1.1.0.tar.gz and point dock.3.8_source.tar.gz * tell John you have...", and the only contributor was "Frodo" (talk))
  • 21:04, 22 February 2024 Frodo talk contribs created page Create venv (shoulda had this a long time ago)
  • 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...")
  • 22:15, 20 February 2024 Mtsukanov talk contribs created page Covalent Library Preparation 2024 (Created page with "Modify warhead to covalent adduct with SiH3 added. == Prepare “SMILES ID” file. == ssh n-1-17 (or another development node) Source environment with RDkit source /mnt/nfs/ex9/work/ttummino/miniconda/etc/profile.d/conda.sh conda activate base3.7 python ~ak87/PROGRAM/convert_smiles_to_covalent.py ald bbv-cov-ald.smi bbv-cov-ald-test.smi This script enumerates all stereoisomers and converts SMILES to the covalent ones. Currently, only conversions for aldehydes...")
  • 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)
  • 20:11, 9 February 2024 Ianscottknight talk contribs created page Calculate ECFP4 using RDKit (Created page with "1. git clone https://github.com/docking-org/ChemInfTools.git 2. Ensure that you have sourced a python3 environment E.g., source /nfs/soft/ian/python3.8.5.sh 3. python ChemInfTools/utils/teb_chemaxon_cheminf_tools/generate_chemaxon_fingerprints_py3.py <SMILES_FILE> <OUTFILE_PREFIX>")
  • 18:50, 29 November 2023 Jgutierrez6 talk contribs created page Globus Curator's Guide (Created page with "== Introduction == Here will be instructions on how to maintain globus == Updating Path Permissions == 1. Identify the real paths of the permission denied paths. Globus doesn't follow symbolic links <source>readlink -f <symlink> </source> 2. Become root in epyc 3. Go to /root/globus <source>cd /root/globus</source> 4. Insert and save the real paths at the end of this file (check commas for syntax or you'll get an error): <source>vim storage_gateway_path_restriction.js...")
  • 19:45, 22 November 2023 Khtang talk contribs created page User talk:Bks.labmanager (Welcome!)
  • 19:45, 22 November 2023 Khtang talk contribs created page User:Bks.labmanager (Creating user page for new user.)
  • 19:45, 22 November 2023 User account Bks.labmanager talk contribs was created by Khtang talk contribs and password was sent by email
  • 20:09, 27 October 2023 Frodo talk contribs created page ZINC22:Layers (asdf)
  • 06:16, 21 September 2023 Iamkaant talk contribs created page Extended Search of Analogs via Bioisosteric Replacements (Created page with "=== Rationale === Our standard pipeline of searching for analogs (at least as I know it) consists of entering the SMILES of a molecule of interest into all flavors of SmallWorld and Arthor, available in the lab. This procedure has two drawbacks: # Limited diversity. SmallWorld's and Arthor's measure of distance between the analogs and the parent compound is graph edit distance.<ref>I am probably using slightly wrong terminology here, so be it. You can learn more about...")
  • 21:42, 20 September 2023 Omailhot talk contribs created page Olivier's way of computing novelty (Created page with "This is my lazy way of doing novelty calculations. '''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 Eventually the package will be better documented (and probably integrated into pydock). '''Step 1: get all knowns from ChEMBL''' H...")
  • 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...")
  • 21:08, 12 September 2023 Jgutierrez6 talk contribs created page Rack Power (PDUs) (Created page with "== Introduction == This page will detail what PDUs are in which rack and how much Amperage they can hold. It will also detail how much max Amperage each machine can draw from the PDUs. == Power Table ==")
(newest | oldest) View (newer 20 | ) (20 | 50 | 100 | 250 | 500)