Difference between revisions of "Compbio middleware"

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* [[AMSOL]]
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* [[Epik]] and [[ligprep]] from Schrodinger
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* [[OpenEye]]
  
 
Chemaxon.
 
Chemaxon.

Latest revision as of 11:48, 20 March 2014

We define middleware here to mean whatever comes between your application and the operating system. If you have a better name for it, tell us.

Essential

Recommended

  • rdkit - recommended and soon to be essential for the DOCK 3.7 pipeline.
  • OGS/GE - queuing system. OpenGridEngine is included in Centos and you do not need to install it separately.


Set up psql/rdkit from scratch

Psql.

rdkit.


Drupal.

Feeware


Chemaxon.


mysql.

openbabel.

wiki


Return to So you want to set up a lab.