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mgltools-pyautodock 1.5.7-3
  • links: PTS, VCS
  • area: non-free
  • in suites: bullseye, buster, sid
  • size: 45,148 kB
  • sloc: python: 4,540; sh: 78; makefile: 13

Folder: PyAutoDock

d .. (parent)
d d rwxr-xr-x 4,096 Tests
- - rw-r--r-- 40,269 AutoDockScorer.py
- - rw-r--r-- 17,105 AutoGrid.py
- - rw-r--r-- 16,536 InternalEnergy.py
- - rw-r--r-- 2,292 LICENSE
- - rw-r--r-- 13,068 MolecularSystem.py
- - rw-r--r-- 2,071 MolecularSystemAdapter.py
- - rw-r--r-- 84 __init__.py
- - rw-r--r-- 13,644 compute_utils.py
- - rw-r--r-- 14,551 desolvation.py
- - rw-r--r-- 3,602 electrostatics.py
- - rw-r--r-- 12,201 reporter.py
- - rw-r--r-- 9,357 scorer.py
- - rw-r--r-- 1,031 shaperecognition.py
- - rw-r--r-- 21,571 trilinterp_scorer.py
- - rw-r--r-- 58,283 vanDerWaals.py