Compbio middleware

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Essential

Computer and operating system. We recommend Centos on either Intel or AMD. Supported platforms for DOCK 3.7.
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.

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