smog-server / OpenSMOG

OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.
MIT License
11 stars 6 forks source link

have a help menu for usage of OpenSMOG #54

Closed Whitford closed 2 years ago

Whitford commented 2 years ago

Perhaps lets write a little routine that will print out helpful information about OpenSMOG. We can call it "smoghelp". and it would say something about where to find more information, an example of the simplest use case, information on where to find smog, etc.

Whitford commented 2 years ago

see commit ca422e1