Selections

The StructureSelector lets you chain together selections. It is a thin wrapper on top of Biotite’s AtomArray filters.

class StructureSelector:
    # selectors
    def amino_acids(self):
    def canonical_amino_acids(self):
    def canonical_nucleotides(self):
    def carbohydrates(self):
    def first_altloc(self):
    def hetero(self):
    def highest_occupancy_altloc(self):
    def linear_bond_continuity(self):
    def monoatomic_ions(self):
    def nucleotides(self):
    def peptide_backbone(self):
    def phosphate_backbone(self):
    def polymer(self):
    def solvent(self):

    # selectors with params
    def atomname(self, atomname):
    def chain(self, chain_id):
    def element(self, element):
    def inscode(self, inscode):
    def resid(self, num):
    def resname(self, res_name):

    # gets the mask or the seletion as an AtomArray
    def get_mask(self):
    def get_selection(self):

# usage. chain the selctions together.
# get back an array using `get_selection`
example = StructureSelector(structure)
        .resid(10)
        .resname("ALA")
        .chain("A")
        .get_selection())