API ReferenceΒΆ

Welcome to mdciao! Below you will find the submodules exposed by the API

contacts

Computation, bookkeeping, and manipulation of residue-residue contacts.

fragments

Guess and manipulate fragments, i.e., sub-regions of molecular topologies.

nomenclature

Get and manipulate consensus nomenclature for GPCRs and G-proteins.

sites

Tools for reading and manipulating sites.

cli

Programatic access to the CLI methods

plots

Plotting functions

utils

Container for other sub-modules with lower-level functions.

flare

Produce flare-plots, where the residues are drawn on a circle and connected with lines of varying opacity.

pdb

RSCB-PDB web lookups

examples

Helper functions for demos and data download