- First release of
deemian! - PDB file processing, both single (X-ray crystal structure) and multimodel (NMR solution structure).
- Molecule bond assignment based on SMILES template.
- Electrostatic interaction analysis.
- Allows both apparent and ionizable charge identification.
- Interaction calculation between two selection.
- Present interaction in detailed, clustered, and summarized mode.
- Generate Deemian data which can be viewed with Deemian Viewer.