mdciao.utils

Container for other sub-modules with lower-level functions. They are exposed, tested, and documented, so feel free to use them in your workflow as needed.

residue_and_atom	Deal with residues, atoms, and their names, mostly.
bonds	Simple operations with bonds between the residues of an mdtraj.Topology
str_and_dict	Functions for manipulating strings and dictionaries, also a bit of IO.
COM	Functions related to Center-Of-Mass (COM) computations
lists	Miscellaneous operations on list or list-like objects .. autosummary:: :nosignatures: :toctree: generated/.
contact_matrix	Functions related to contact-map operations (WIP)
sequence	Functions for and around sequence alignment