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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).
- 21:57, 25 April 2023 Frodo talk contribs created page How to release DOCK (asdf)
- 19:02, 19 April 2023 Saadamin2006 talk contribs created page GPU DOCK (Created page with "# GPU DOCK Wiki GPU DOCK is a fork of DOCK 3.8 that utilizies GPU acceleration via CUDA. Currently (as of April 2023) GPU DOCK uses the GPU for parallel scoring and only supports Van der Waals, electrostatics, and solvation scores. # Running and Building GPU DOCK The main files for GPU DOCK are in the `DOCK/ucsfdock/docking/DOCK/src` directory of DOCK. There are a few important scripts here: * `clean.sh` that clears object files from previous builds * `compile.sh` wh...")
- 15:25, 19 April 2023 Frodo talk contribs created page User talk:Saadamin2006 (Welcome!)
- 15:25, 19 April 2023 Frodo talk contribs created page User:Saadamin2006 (Creating user page for new user.)
- 15:25, 19 April 2023 User account Saadamin2006 talk contribs was created by Frodo talk contribs and password was sent by email (welcome)
- 22:24, 12 April 2023 Frodo talk contribs created page Search (asdf)
- 17:40, 12 April 2023 Frodo talk contribs created page Standup tuesday (asdf)
- 18:16, 31 March 2023 Frodo talk contribs created page Properties (asdf)
- 16:10, 31 March 2023 Frodo talk contribs created page Installing DOCK6 on Apple Silicon M2 (asdf)
- 17:49, 23 March 2023 Frodo talk contribs created page OCI:More work (asdf)
- 19:49, 22 March 2023 Frodo talk contribs created page OCI:Create account (asdf)
- 18:35, 22 March 2023 Frodo talk contribs created page OCI:Set up account (asdf)
- 18:50, 21 March 2023 Mtsukanov talk contribs created page AB3 Developer Notes (Created page with "'''UNDER DEVELOPMENT''' The back-end and the front-end of this tool can be accessed at ABBB and AB3FrontEnd repositories at https://gitlab.docking.org, respectively. The backend runs on flask and has two main scripts running that do all the main calculations, which are BespokeAnaloging.py and arthorquery.py. The Bespoke Analoging script gets called in the routes section with the call_ABBB function. There we use a json file with all our reaction information as the first...")
- 22:24, 20 March 2023 Frodo talk contribs created page Covalent library preparation 2023 (qasdf)
- 20:21, 15 March 2023 Frodo talk contribs created page TLDR:enumeration (asdf)
- 19:42, 15 March 2023 Frodo talk contribs created page TLDR:bbfilter (asdf)
- 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...")
- 20:29, 2 March 2023 Btingle talk contribs created page Repackaging DB2 DOCK38 (Created page with "The following is a script for repackaging 3D pipeline results. First, here is the script: <nowiki> #!/bin/bash # make_tarballs.bash # required parameter RESULT_DIRECTORY=$1 # optional parameters WORKING_DIRECTORY=${WORKING_DIRECTORY-/tmp/$(whoami)} PACKAGES_PER_PACKAGE=${PACKAGES_PER_PACKAGE-100} PACKAGE_TYPE=${PACKAGE_TYPE-db2.gz} PACKAGE_TYPE_SHORT=$(echo $PACKAGE_TYPE | cut -d'.' -f1) echo WORKING_DIRECTORY=$WORKING_DIRECTORY mkdir -p $WORKING_DIRECTORY && cd $WO...")
- 21:56, 22 February 2023 Jgutierrez6 talk contribs created page How to use Arthor Command Line (Created page with "== Introduction == Here is an introduction on how to use the Arthor commands in the command line for substructure searching. == Important Information == *Arthor Databases are backed up in '''/nfs/exj/arthor_db_backup/'''. *Arthor version will differ as time goes on but the command line should be fairly the same. == Simple use of Arthor Commands == # Export the Arthor bin path to use executables #: <source> export ARTHOR_DIR=/nfs/soft2/arthor_configs/arthor-3.4.7/arthor...")
- 19:38, 21 February 2023 Jgutierrez6 talk contribs created page How to use Smallworld Java Command Line (Created page with "== How to use Smallworld Java Command Line == # Use bash as your shell #* <source>bash //just type in bash and enter</source> # Export these variables #* <source> export SWDIR=/mnt/nfs/db3/public_smallworld_5th_gen export sw='java -jar /nfs/db3/smallworld-5.5/sw.jar' </source> # Run the similarity command and it will display what it can do #* <source> $sw sim </source> # The path of the databases you can search from is here #* /mnt/nfs/db3/public_smallworld_5th_gen/maps/...")