The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Is your feature request related to a problem? Please describe.
We get numerous, numerous questions about how PDB files can be loaded, what the behavior of the infrastructure is, what happens if particular things are found in the file, what the structure of the resulting Topology is, etc.
Describe the solution you'd like
I want to link users to an instructive, standalone example that guides them through the questions that they predictably have.
Describe alternatives you've considered
Typing out the repeatedly the answers to the same questions (unacceptably poor scaling)
Linking to docstrings (not appropriate for many users)
Linking to release notes (insufficient information)
Is your feature request related to a problem? Please describe.
We get numerous, numerous questions about how PDB files can be loaded, what the behavior of the infrastructure is, what happens if particular things are found in the file, what the structure of the resulting
Topology
is, etc.Describe the solution you'd like
I want to link users to an instructive, standalone example that guides them through the questions that they predictably have.
Describe alternatives you've considered