ptp

mbuild_polybuild.aa_functional_groups.ptp

Description

Pyridinylthiopropanol (PTP) moiety.

This module defines the PTP class, representing a pyridinylthiopropanol functional group for molecular simulations. The PTP group includes ports for molecular assembly.

Examples

>>> from mbuild_polybuild.aa_functional_groups.ptp import PTP
>>> ptp = PTP()
>>> ptp.save("pyridinylthiopropanol.mol2", overwrite=True)

Classes

PTP	A pyridinylthiopropanol (PTP) group.