mdciao.examplesΒΆ

Helper functions for demos and data download

ContactGroupL394

Create an example mdciao.contacts.ContactGroup quickly.

Interface_B2AR_Gas

Return an ContactGroup object representing a B2AR-Galpha s interface

GPCRLabeler_ardb2_human

Build an LabelerGPCR with the adrb2_human.xlsx file shipped with mdciao

CGNLabeler_3SN6

Build an LabelerCGN with the CGN_3SN6.txt and 3SN6.pdb files shipped with mdciao

notebooks

Copy the example Jupyter notebooks distributed with mdciao to this folder.

fetch_example_data

Download the example data from the url and unzip it to the working directory.

filenames

A class that contains the paths to the files used by mdciao.