OpenFF Toolkit
0.9.2+0.g7c3dfbae.dirty
Open Force Field Initiative
OpenFF Toolkit
Installation
Installing via
conda
Required dependencies
Alternative method: Single-file installer
Examples using SMIRNOFF with the toolkit
Index of provided examples
Release History
Changes since last release
Frequently asked questions (FAQ)
Input files for applying SMIRNOFF parameters
Can I use an AMBER (or GROMACS) topology/coordinate file as a starting point for applying a SMIRNOFF force field?
What about starting from a PDB file?
What do you recommend as a starting point?
My conda installation of the toolkit doesn’t appear to work. What should I try next?
The partial charges generated by the toolkit don’t seem to depend on the molecule’s conformation! Is this a bug?
Core concepts
The SMIRks Native Open Force Field (SMIRNOFF) specification
Authors and acknowledgments
Representations and encodings
Reference implementation
Support for molecular simulation packages
Basic structure
Units
SMIRNOFF independently applies parameters to each class of potential energy terms
Partial charge and electrostatics models
Parameter sections
Advanced features
The
openforcefield
reference implementation
Version history
Virtual sites
Support for the SMIRNOFF VirtualSite tag
Developing for the toolkit
Overview
Modular design features
Contributing
Supported Python versions
Molecular topology representations
Primary objects
Secondary objects
Force field typing tools
Chemical environments
Force field typing engines
Utilities
Toolkit wrappers
Serialization support
Collections
Miscellaneous utilities
Page
openff.toolkit.utils.utils.inherit_docstrings
« openff.toolki...
openff.toolki... »
Source
openff.toolkit.utils.utils.inherit_docstrings
¶
openff.toolkit.utils.utils.
inherit_docstrings
(
cls
)
[source]
¶
Inherit docstrings from parent class