TODO

Simple-ish Todos

  • only certain residues

Needed Frameworks

Scoring Framework

For use in array-ified main docking

  • filter

  • trim

  • score

  • examples

  • termini orientation

  • intra interface

Post doc filter framework

For use after main dock, filtering one dock at a time and only a limited number of results. Theses filters can be much more flexible and probably do arbitrary calculations

  • ss count??? (maybe in filtering if efficient)

Documentation

need much much more documentation, both tutorial stuff and module (code comment) docs

Figures to doc and place

GM_bvh_1

_images/GM_bvh_1.png

GM_bvh_2

_images/GM_bvh_2.png

GM_bvh_3

_images/GM_bvh_3.png

GM_bvh_4

_images/GM_bvh_4.png

GM_dock_cyclic

_images/GM_dock_cyclic.png

GM_forming_two_interfaces_requires_finer_search

_images/GM_forming_two_interfaces_requires_finer_search.png

GM_hier_samp_ensemble

_images/GM_hier_samp_ensemble.png

GM_hier_search_bench_plugdock

_images/GM_hier_search_bench_plugdock.png

GM_hier_search_ensemble_score

_images/GM_hier_search_ensemble_score.png

GM_hier_search_grids

_images/GM_hier_search_grids.png

GM_hier_search_smear_6D

_images/GM_hier_search_smear_6D.png

GM_hier_search_smear_illustration

_images/GM_hier_search_smear_illustration.png

GM_rpx_bins

_images/GM_rpx_bins.png

GM_rpx_jorge

_images/GM_rpx_jorge.png

GM_rpx_smear_cart_only

_images/GM_rpx_smear_cart_only.png

helix_dhr14_tube_brickwall

_images/helix_dhr14_tube_brickwall.png

helix_from_repeat1

_images/helix_from_repeat1.png

three_helix_outline

_images/three_helix_outline.png