Changes for version 0.012 - 2015-06-16
- add prereq for installs
Modules
HackaMol extension for running Autodock Vina
Examples
- examples/stage1_setup/README.md
- examples/stage1_setup/centers/FTMAP/deprecated/README
- examples/stage1_setup/centers/FTMAP/deprecated/collect_nodes.pl
- examples/stage1_setup/centers/FTMAP/deprecated/pull_bs_ftmap.pl
- examples/stage1_setup/centers/FTMAP/deprecated/reduce_bs_kirchoff.pl
- examples/stage1_setup/centers/FTMAP/kmeans_bs_ftmap.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/stage1_setup/setup_receptors_sets_mce.pl
- examples/stage2_docking/PBS_screens/README
- examples/stage2_docking/PBS_screens/broadcast.pl
- examples/stage2_docking/PBS_screens/ligands_dock.pl
- examples/stage2_docking/PBS_screens/ligands_example.yaml
- examples/stage2_docking/PBS_screens/receptors_example.yaml
- examples/stage2_docking/PBS_screens/ssCenters_receptors_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/merge_TMPS.pl
- examples/utilities/merge_dbs.pl
- examples/utilities/stor_to_json.pl