Feature

At the moment Deemian only have minimum feature, in the future more feature will be added as decribed in the Roadmap.

Here is the list of current Deemian feature:

• 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.