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- 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/...")
- 21:52, 16 February 2023 Frodo talk contribs created page How to create actives and decoys for dockopt (asdf)
- 21:47, 16 February 2023 Frodo talk contribs created page Docking configuration (asdf)
- 19:31, 8 February 2023 Frodo talk contribs created page Caveat Emptor (asdf)
- 23:03, 20 January 2023 Omailhot talk contribs created page File:Mor zoom example.gif
- 23:03, 20 January 2023 Omailhot talk contribs uploaded File:Mor zoom example.gif
- 22:19, 20 January 2023 Omailhot talk contribs created page File:Chembl mor3.png
- 22:19, 20 January 2023 Omailhot talk contribs uploaded File:Chembl mor3.png
- 22:19, 20 January 2023 Omailhot talk contribs created page File:Chembl mor2.png
- 22:19, 20 January 2023 Omailhot talk contribs uploaded File:Chembl mor2.png
- 22:19, 20 January 2023 Omailhot talk contribs created page File:Chembl mor1.png
- 22:19, 20 January 2023 Omailhot talk contribs uploaded File:Chembl mor1.png
- 21:53, 20 January 2023 Omailhot talk contribs created page File:Chemspace vis example.gif
- 21:53, 20 January 2023 Omailhot talk contribs uploaded File:Chemspace vis example.gif
- 00:40, 20 January 2023 Omailhot talk contribs created page File:Chemspace vis example1.png
- 00:40, 20 January 2023 Omailhot talk contribs uploaded File:Chemspace vis example1.png
- 00:38, 20 January 2023 Jgutierrez6 talk contribs created page File:Sunflower.jpeg (Test Upload)
- 00:38, 20 January 2023 Jgutierrez6 talk contribs uploaded File:Sunflower.jpeg (Test Upload)