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
Examples
- examples/stage1_setup/README
- examples/stage1_setup/centers/FTMAP/README
- examples/stage1_setup/centers/FTMAP/collect_nodes.pl
- examples/stage1_setup/centers/FTMAP/pull_bs_ftmap.pl
- examples/stage1_setup/centers/FTMAP/reduce_bs_kirchoff.pl
- examples/stage1_setup/centers/centers_append.pl
- examples/stage1_setup/centers/centers_gen.pl
- examples/stage1_setup/setup_ligands_sets.pl
- examples/stage1_setup/setup_ligands_sets_mce.pl
- examples/stage2_docking/PBS_screens/README
- examples/stage2_docking/PBS_screens/broadcast.pl
- examples/stage2_docking/PBS_screens/example.yaml
- examples/stage2_docking/PBS_screens/ligands_dock.pl
- examples/stage2_docking/Simple_docking/TODO
- examples/stage3_analysis/load_json.pl
- examples/stage3_analysis/load_print_pdb.pl
- examples/utilities/json_to_stor.pl
- examples/utilities/stor_to_json.pl