So you want to set up a lab: Difference between revisions
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Revision as of 00:41, 14 March 2014
Here is how I would set up a computational lab, one that could join the Worldwide ZINC network.
Requirements and assumptions
This page describes setting up a full computational pharmacology research lab. We describe the minimum setup, plus options for expansion. The entry level assumes you can spend: $20K on servers and $2K on a workstation. You'll need an acoustically insulated air conditioned room. It would help to have someone with system administration experience for 100 hours (3 weeks) for the initial set up, and then 1 day/month for maintenance.
When you have all the software and hardware, you can get a docking lab up and running at a basic level in less than a day. If you do not have all the software and hardware, it will take longer. If you've never run a molecular docking lab, allow a week to learn the basics.
Physical level
We discuss options for acquiring hardware in Cluster Theory. More thoughts: Acquire and deploy hardware
Operating System level
Middleware level
Set up middleware for a computational drug discovery lab.
Server Application Software
Client Application Software
Operations
Monthly maintenance tasks.