Is small molecule#

Validating whether a chemical residue is a recognized small molecule or ligand.

The function molsysmt.element.group.small_molecule.is_small_molecule() checks group names against the comprehensive small molecule dictionary.

Added in version 1.0.0.

API documentation

Follow this link for a detailed description of the input arguments, raised errors, and returned objects of this function: molsysmt.element.group.small_molecule.is_small_molecule().

Basic usage#

Let’s test small molecule names:

import molsysmt as msm

print('Is BEN a small molecule?:', msm.element.group.small_molecule.is_small_molecule('BEN'))
print('Is ATP a small molecule?:', msm.element.group.small_molecule.is_small_molecule('ATP'))
print('Is ALA a small molecule?:', msm.element.group.small_molecule.is_small_molecule('ALA'))

Is BEN a small molecule?: True
Is ATP a small molecule?: True
Is ALA a small molecule?: False