Compbio middleware: Difference between revisions
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(Created page with "= Essential = * Computer and operating system. We recommend Centos on either Intel or AMD. Supported platforms for DOCK 3.7. * Python - 2.7 series * AMSOL - at...") |
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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 = | = Essential = | ||
* [[Python]] - 2.7 series | * [[Python]] - 2.7 series | ||
* [[AMSOL]] - atomic charge and desolvation penalty calculations required for database building. | * [[AMSOL]] - atomic charge and desolvation penalty calculations required for database building. | ||
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Psql. rdkit. Drupal. Chemaxon. mysql. openbabel. | |||
[[Category:Internal]] | [[Category:Internal]] | ||
[[Category:Sysadmin]] | [[Category:Sysadmin]] | ||
[[Category:Docking]] | [[Category:Docking]] | ||
Revision as of 16:40, 12 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
- Python - 2.7 series
- AMSOL - atomic charge and desolvation penalty calculations required for database building.
- Omega by OpenEye - conformation generation required for database building.
- 3D modeling - PyMol or Chimera
- Matplotlib - currently only needed for analysis plots (enrichment)
- MSMS - currently only needed by be_blasti
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.
Psql. rdkit. Drupal. Chemaxon. mysql. openbabel.