ADL: Using Autodock on a Cluster

Daniel Jana dfjana at gmail.com
Mon Oct 1 06:06:34 PDT 2007


On 26/09/2007, Babak Afrough <B.Afrough03 at westminster.ac.uk> wrote:
> Dear Autodock users, would anyone be able to tell me wether I can use the Autodock program and ADT in a clustr environment and if so would I need to download a different version or not?
>
> Are there any licensing or legality issues with using these programs on a Cluster?

Autodock 4 was released with a GPL license (probably v2, but not
sure). So, you can do whatever you want with it, even alter it, as
long as you give credit to the original authors and (if you release
your code) publish it with GPL too.
As for the cluster environment, it depends if you want to run Autodock
jobs in more than one processor or if serial jobs are enough. If
serial jobs are ok, then there is no problem with it. We have it here
running on a cluster with Sun's Grid Engine queuing system.
If you need to run jobs with more than one processor than the current
available code does not work. There is no official version for this so
you should have to deal with the changes yourself. There has been some
discussion about this in the list. If you go through the archives you
should find it...

Daniel


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