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Changes for version 0.01 - 2015-04-15

  • improved binding site script example using kmeans clustering
  • more examples for receptor based and ligand based screens

Changes for version 0.00_9 - 2014-05-30

  • update dependencies to fix testers

Changes for version 0.00_8 - 2014-05-30

  • Examples have been significantly improved
  • Tests skipped if vina not in ~/bin.. todo improve further

Changes for version 0.00_7 - 2014-05-16

  • More POD changes
  • Examples added for virtual screens

Changes for version 0.00_6 - 2014-05-09

  • Improved POD descriptions

Changes for version 0.00_5 - 2014-05-09

  • Completed first draft of POD

Changes for version 0.00_4 - 2014-05-05

  • Path to AbsPath for receptor and ligand attributes
  • Test coverage improved. more still needed!

Changes for version 0.00_3 - 2014-05-04

  • improved defaults via BUILD to simplify interface
  • added dock and dock_mol... pod to be added soon

Changes for version 0.00_2 - 2014-05-02

  • update synopsis and dependencies. Simplify test

Modules

HackaMol extension for running Autodock Vina