| fragmenstein/monster/positional_mapping.py | 107 | A 2 hrs |
|
| fragmenstein/monster/unmerge_mapper.py | 393 | D 2 days |
|
| fragmenstein/mpro/__init__.py | 111 | A 1 hr |
|
| fragmenstein/mpro/dataframe.py | 34 | A 0 mins |
|
| fragmenstein/multivictor/__init__.py | 1 | A 0 mins |
|
| fragmenstein/multivictor/multivictor.py | 63 | A 50 mins |
|
| fragmenstein/ngl_display.py | 109 | A 1 hr |
|
| fragmenstein/openmm/__init__.py | 2 | A 0 mins |
|
| fragmenstein/openmm/fritz.py | 466 | D 2 days |
|
| fragmenstein/openmm/openvictor.py | 120 | A 50 mins |
|
| fragmenstein/settings.py | 34 | A 0 mins |
|
| fragmenstein/version.py | 15 | A 0 mins |
|
| fragmenstein/victor/__init__.py | 140 | A 0 mins |
|
| fragmenstein/victor/_loggerwriter.py | 16 | A 0 mins |
|
| fragmenstein/victor/_victor_base.py | 158 | A 3 hrs |
|
| fragmenstein/victor/_victor_combine.py | 124 | A 1 hr |
|
| fragmenstein/victor/_victor_common.py | 358 | D 2 days |
|
| fragmenstein/victor/_victor_igor.py | 111 | A 25 mins |
|
| fragmenstein/victor/_victor_journal.py | 107 | A 0 mins |
|
| fragmenstein/victor/_victor_mode.py | 9 | A 0 mins |
|
| fragmenstein/victor/_victor_overridables.py | 32 | A 0 mins |
|
| fragmenstein/victor/_victor_place.py | 165 | A 3 hrs |
|
| fragmenstein/victor/_victor_plonk.py | 170 | A 55 mins |
|
| fragmenstein/victor/_victor_safety.py | 45 | A 25 mins |
|
| fragmenstein/victor/_victor_show.py | 116 | A 1 hr |
|
| fragmenstein/victor/_victor_store.py | 66 | A 0 mins |
|
| fragmenstein/victor/_victor_utils.py | 510 | D 2 days |
|
| fragmenstein/victor/_victor_validate.py | 41 | A 0 mins |
|
| fragmenstein/victor/minimalPDB.py | 108 | B 6 hrs |
|
| fragmenstein/victor/plip.py | 214 | A 2 hrs |
|
| fragmenstein/walton/__init__.py | 43 | A 0 mins |
|
| fragmenstein/walton/_advmoves.py | 143 | A 1 hr |
|
| fragmenstein/walton/_art.py | 83 | A 0 mins |
|
| fragmenstein/walton/_base.py | 90 | A 0 mins |
|
| fragmenstein/walton/_movements.py | 122 | A 1 hr |
|
| fragmenstein/walton/_polygon.py | 42 | A 2 hrs |
|
| frozen_requirements.txt | |
|
|
| images/JAN-GHE-fd8-4_NIT3.png | |
|
|
| images/S_deviant.png | |
|
|
| images/TRY-UNI-714a760b-6.png | |
|
|
| images/WAR-XCH-b6889685-63.png | |
|
|
| images/atom_collapse.png | |
|
|
| images/compare-N-atoms.png | |
|
|
| images/compare-rmsd.png | |
|
|
| images/compare-runtime.png | |
|
|
| images/compare-timeproblem.png | |
|
|
| images/compare-∆∆G.png | |
|
|
| images/compare-∆∆G2.png | |
|
|
| images/constructive_hits.png | |
|
|
| images/cross_ring.png | |
|
|
