Residue
type¶Residue
¶Residue
is a group of atoms belonging to the same logical unit. They
can be small molecules, amino-acids in a protein, monomers in polymers,
etc.Residue
(name::String, id = nothing)¶name
and optional residue identifier
id
.Residue
(topology::Topology, index::Integer)¶Get a copy of the residue at index
from a topology
.
The residue index in the topology is not always the same as the residue identifier.
residue_for_atom
(topology::Topology, index::Integer)¶Get a copy of the residue containing the atom at index
in the topology
.
This function will return nothing
if the atom is not in a residue, or if
the index
is bigger than the number of atoms in the topology.
deepcopy
(residue::Residue)¶residue
.name
(residue::Residue)¶residue
.id
(residue::Residue)¶residue
in the initial topology.size
(residue::Residue)¶residue
.add_atom!
(residue::Residue, index::Integer)¶index
in the residue
.contains
(residue::Residue, index::Integer)¶index
is in the residue
.deepcopy
(residue::Residue)¶residue
.property
(residue::Residue, name::String)¶set_property!
(residue::Residue, name::String, value)¶properties_count
(residue::Residue)¶list_properties
(residue::Residue)¶