mdciao.fragments

Guess and manipulate fragments, i.e., sub-regions of molecular topologies. A fragment is just an iterable of integers representing the residue indices belonging to it.

get_fragments	Group residues of a molecular topology into fragments using different methods.
fragment_slice	Slice a geometry using arbitrary fragment definitions, a la mdtraj.Trajectory.atom_slice
print_fragments	Inform about fragments, very thinly wrapping around print_frag
print_frag	Pretty-printing of fragments of an mtraj.topology
overview	Prints the fragments obtained by get_fragments for the available methods.
match_fragments	Align fragments of seq0 and seq1 pairwise and return a matrix of scores.
assign_fragments	Assign a parent fragment to each residue in a list of res_idxs