A collection of tools useful for preparing, and extracting information from Molecule objects.
- Protein segmentation: Automatically detects and assigns segments in proteins
- Protein preparation: Protonates proteins and optimizes hbond networks
- Sequence profile: Calculates a protein sequence profile using HHBlits
- Sequence-based structure alignment: Aligns two protein structures by their sequence alignment
- Voxel Descriptors: Calculates 3D voxels channels containing features of a Molecule or SmallMol
- Maximal substructure alignment: Aligns two small molecules by their maximal substructure