Compbio middleware: Difference between revisions

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Drupal.
Drupal.
* [[PyMol]]
* [[Chimera]]
* [[Knime]]
* [[Marvin]]  and [[InstantJChem]] from [[ChemAxon]]
* [[OpenBabel]]
* [[rdkit]]
* [[psql]] and [[MySQL]]
== Feeware ==
* [[pgf]]
* [[CSD]]
* [[Chemaxon]]
* [[OpenEye]]





Revision as of 11:47, 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


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