ParmEd

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Core classes used to represent topologies
The core Structure class
Working with units
Reading and writing files
The Amber file classes
The CHARMM file classes
The GROMACS file classes
PyRosetta Integration
Using parmed
Using xparmed
The ParmEd API
OpenMM Functionality
Visualization Functionality

ParmEd

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parmed.utils.decorators module
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parmed.utils.decorators module¶

A list of helpful decorators for use throughout ParmEd

parmed.utils.decorators.needs_openmm(fcn)[source]¶

© Copyright 2015, Jason Swails

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