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
We use Operating system to describe all software components that are not particular to our field. Install operating system
Middleware level
Set up middleware for a computational drug discovery lab.
Server Application Software
Client Application Software
Operations
Monthly maintenance tasks.