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Table 2 An overview of the Cinfony API.

From: Cinfony – combining Open Source cheminformatics toolkits behind a common interface

Class name Purpose
Molecule Wraps a molecule instance of the underlying toolkit and provides access to methods that act on molecules
Atom Wraps an atom instance of the underlying toolkit
MoleculeData Provides dictionary-like access to the information contained in the tag fields in SDF and MOL2 files
Outputfile Handles multimolecule output file formats
Smarts Wraps the SMARTS functionality of the toolkit in an analogous way to the Python 're' module for regular expression matching
Fingerprint Simplifies Tanimoto calculation of binary fingerprints
Function name  
readfile Return an iterator over Molecules in a file
readstring Return a Molecule
Variable name  
descs A list of descriptor IDs
forcefields A list of forcefield IDs
fps A list of fingerprint IDs
informatsaa A list of input format IDs
outformats A list of output format IDs