workflow script

Message boards : Number crunching : workflow script

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Profile Jack Shultz
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Joined: 10 Apr 09
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Message 1419 - Posted: 29 Sep 2009, 15:25:40 UTC

We have a work flow script written in perl. It takes the output of autodock and preps it for gromacs. It has many steps and goes through loops. First scores the results of autodock and obtains the current 100 best scores. Then it preps these 100 results for molecular dynamics. I run into some problems with this script and i have some enhancements I am trying to add. You will see the project daemons go down occasionally because I am working on it.


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Message boards : Number crunching : workflow script


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