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To send a file /tmp/my_temp_file on your laptop to gimel, first setup a tunnel

This is intended for Shoichet lab setup. But we hope other find it useful. See [[SEA]]

This is intended for Shoichet lab setup. But we hope other find it useful. See [[SEA]]

== Setup & Running == === Setup ===

...hed) decoys generated by DUDE. This is also a sanity check of your docking setup, put it on your checklist!

FastROCS server is setup to be running continuously in the background (maybe on a screen). The datab

This page will show you how to setup and configure a Slurm queueing system. ===== Verify Setup =====

setup_db2_zinc15_file.py '$DOCKBASE/docking/setup/setup_db2_zinc15_file.py' python ${DOCKBASE}/docking/setup/setup_db2_zinc15_file_number.py ./ vs_frag /path/to/ZINC-downloader-3D-db2.

And then setup new config file

*Setup: set dud=~mysinger/code/dud/trunk # setup variable for path

'''These scripts setup the grids and matching spheres and are used to optimize the pocket''' = How to Setup a Slurm node =

== Setup == This step takes place in the aws-setup container. Run aws configure on startup as per usual. If you'd like to avoi

...there are 3 scripts for setting up a dock run. The first script will send setup a docking run where each file will be relegated to a separate node, fine fo

= Step 2. Setup for running 3d building =

- To view table setup: \d+ <table_name> ...on phi. Install the same postgres server version locally on your computer, setup the database. Make sure you are the only one who uses this database!

The important script, node-ks.cfg contains rested settings that setup a node.

== General setup == * First setup the directory structure for docking:

$DOCKBASE/docking/setup/setup_db2_zinc15_file_number.py ./ CHEMBL4422_active_ligands_ CHEMBL4422_ac ==== Setup Node master ====

$DOCKBASE/docking/setup/setup_db2.csh /nfs/work/jji/docking/lib2/ahl/one/gz_files

This is aleph:/root/setup/libvirt/SETUP These instructions are from /root/setup/vms/alpha-setup