Function reference
Importing
Downloading and importing molecular data through the API.
| fetch | Fetch and create a molecular structure from online databases. |
| parse | Parse a molecular structure file into a Molecule object. |
| download.download | Downloads a structure from the specified protein data bank in the given format. |
Entity
Importing and manipulating different molecular entities
| entities.MolecularEntity | |
| entities.Molecule | Abstract base class for representing a molecule. |
| entities.Trajectory | |
| entities.Ensemble | |
| entities.OXDNA | A class to handle oxDNA trajectory data. |