View source for So you want to set up a lab

Here is how I would set up a computational lab, one that could join the [[Worldwide ZINC]] network.

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= 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, or you already own equivalent or better hardware. You'll need an acoustically insulated air conditioned room. Expect to spend a month to specify, order and deploy hardware, a week to install operating system level, a week to install middleware, and a week to install our software. Times will be longer if it is your first time.   Once running, expect 1 day/month/cluster plus 1 day/month/rack of sysadmin time to maintain your system.

= Narrative = 
Before starting, let's talk about what you need for a successful computational pharmacology cluster. [[Cluster Narrative]].

= Physical level =
We discuss options for acquiring various sizes of hardware in [[Cluster Theory]].  More thoughts: [[Acquire and deploy hardware]]. Allow a month to obtain and deploy hardware.

= Operating System level =
Here we use Operating system to describe all software components that are not particular to our field. Thus for the purposes of this discussion, python and a queuing system are considered part of the operating system level.  [[Install operating system]]. Allow one week for this step.

= Middleware level =
We use middleware to mean 3rd party software required by our software that is specific to our field and that you would not normally expect to find installed on a new computer.
Set up middleware for a [[Compbio middleware | computational drug discovery lab]]. Allow one week for this step. 

= Our Software =
Each product is licensed and distributed separately.  Allow at least a day for each product, more if the previous steps above are incomplete. 

* [[Install DOCK 3.7]]
* [[Install SEA]]
* [[Install DOCK 6]]
* [[Install ZINC]]
* [[Install DOCK Blaster]]

= Operations = 
Once the system is set up and running, it will need to be maintained. Please see the [[:Category:Sysadmin | system administrator's guide]] 

[[Category:Sysadmin]]
[[Category:Tutorials]]
[[Category:Setup]]