There is currently only one available toolkit, Molecule. The following is a list of available Molecule toolkit components with a brief description of each. Detailed documentation for each component (if available) is linked to the component name in the list.
Also, genlib -i will list a synopsis of available interfaces while genlib -I will list implementations.
- Atom
- Basic support for atoms: atom name, atomic symbol, atom type.
- Bond
- Basic bond support: bond order, connected atoms.
- Coord
- Basic xyz-coordinate support. Used in conjunction with CoordSet.
- CoordSet
- Support for coordinate sets (structure ensembles, trajectories, or single structures).
- Molecule
- Support for associating annotations with Molecules.
- PDBio
- Construction of Molecules from PDB files, or writing PDB file descriptions from Molecule objects.
- Residue
- Residue types, numeric IDs.
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