Package schrodinger :: Package application :: Package desmond :: Module energygroup
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Module energygroup

Module for calculating and retriving energy components from Desmond's vrun program.

Copyright Schrodinger, LLC. All rights reserved.

Classes [hide private]
  EnergyComponent
Class for storing different energy components.
  PairDict
PairDict is a special dictionary that treats pairs with the same element as equals, independent of order.
  _Group
  EnergyGroupAnalysis
  EnergyGroup
A tool to calculate group-group interaction.
Variables [hide private]
  logger = log.get_output_logger("energygroup")
  ENGERY_GROUP_PREFIX = 'i_ffio_grp_energy'
  __package__ = 'schrodinger.application.desmond'