OpenFreeEnergy/openfe_analysis

Issues

• Dataset is not pickable (FEReader)

  #21 opened a year ago by hannahbaumann
  2

• Using symmetry corrected RMSD for ligands

  #24 opened a year ago by IAlibay
  0

• User defined host alignment selection

  #23 opened a year ago by IAlibay
  0

• prolif hook

  #22 opened a year ago by richardjgowers
  0

• Ligand COM

  #4 opened a year ago by jameseastwood
  0

• Torsion Sampling

  #11 opened a year ago by jameseastwood
  2

• Back-and-forth analysis

  #9 opened a year ago by jameseastwood
  1

• Protein RMSD

  #2 opened a year ago by jameseastwood
  1

• Correlation coefficient between dynamic and thermodyamic properties

  #18 opened a year ago by jameseastwood
  0

• Visual inspection

  #17 opened a year ago by jameseastwood
  0

• Water density analysis

  #16 opened a year ago by jameseastwood
  0

• Ion analysis

  #15 opened a year ago by jameseastwood
  0

• Water Bridges

  #14 opened a year ago by jameseastwood
  0

• Force field details

  #13 opened a year ago by jameseastwood
  0

• Binding Site Rotational Analysis

  #12 opened a year ago by jameseastwood
  0

• Cycle closure analysis

  #10 opened a year ago by jameseastwood
  0

• FE convergence

  #8 opened a year ago by jameseastwood
  0

• RE-RoundTrips

  #7 opened a year ago by jameseastwood
  0

• Protein-ligand contact analysis

  #6 opened a year ago by jameseastwood
  0

• Energy distribution overlap

  #5 opened a year ago by jameseastwood
  0

• Ligand RMSF

  #3 opened a year ago by jameseastwood
  0

• Ligand RMSD

  #1 opened a year ago by jameseastwood
  0