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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).
- 00:13, 14 June 2023 Btingle talk contribs created page All About DB2 Files (Created page with "== The brass tacks == DB2 files encode & compress 3D molecule rotomers, sometimes referred to as conformations. DB2 files do not store the dihedral angles of rotomers, but instead the per-atom coordinates resulting from those angles Atoms of different rotomers whose coordinates overlap are merged together in db2 files (how this is done will be detailed more later), thus allowing DOCK to avoid double-calculating per-atom energies == The nitty gritty == DB2 is a text fo...")
- 22:21, 31 May 2023 Btingle talk contribs created page Installing The 3D Pipeline ZINC22 (Created page with "Installation of the 3D pipeline is somewhat tricky- the environment is very particular about which versions of which software should be used. It is thus easiest to copy the exact software packages we use from our servers- this should work provided they are installed in a 64-bit linux architecture, though depending on the distribution certain shared libraries may be missing. == Setting up the installation root == First find a suitable directory which will serve as the r...")
- 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...")
- 02:14, 1 December 2022 Btingle talk contribs created page SUBDOCK DOCK3.8 (Created page with "== how to use subdock == Subdock is a utility for running UCSF docking workloads across multiple platforms. There are four essential ingredients that go in to every docking...")
- 20:38, 19 October 2022 Btingle talk contribs created page File:Step1-docktut-again.png
- 20:38, 19 October 2022 Btingle talk contribs uploaded File:Step1-docktut-again.png
- 20:33, 19 October 2022 Btingle talk contribs created page File:Stepwhatever2.png
- 20:33, 19 October 2022 Btingle talk contribs uploaded File:Stepwhatever2.png
- 20:33, 19 October 2022 Btingle talk contribs created page File:Stepwhatever.png
- 20:33, 19 October 2022 Btingle talk contribs uploaded File:Stepwhatever.png
- 20:25, 19 October 2022 Btingle talk contribs created page File:Step6.png
- 20:25, 19 October 2022 Btingle talk contribs uploaded File:Step6.png
- 20:21, 19 October 2022 Btingle talk contribs created page File:Awsdock-Step3-flowchart.png
- 20:21, 19 October 2022 Btingle talk contribs uploaded File:Awsdock-Step3-flowchart.png
- 20:15, 19 October 2022 Btingle talk contribs created page File:Step3.png
- 20:15, 19 October 2022 Btingle talk contribs uploaded File:Step3.png
- 20:12, 19 October 2022 Btingle talk contribs created page File:Awsdock-imagetut-step1.png