Changelog

1.1.0 (2025-07-08)

  • Added analysis of protein-ligand interactions: - Contact maps - Hydrophobic contacts - Salt bridges

  • Added new system-level analyses: - System density - Temperature - Pressure

  • Added advanced structure-based analyses: - Ligand dihedral angles - Protein side chain rotamers (Chi1 vs Chi2) - Phi and Psi backbone angles

  • Added distance matrix analysis.

1.0.6 (2025-05-01)

  • Initial release with core trajectory analysis features: - RMSD (Root Mean Square Deviation) - RMSF (Root Mean Square Fluctuation) - Radius of Gyration (Rg) - Hydrogen bonds (Hbond) - Secondary structure analysis - Ligand density (3D and projected)