opencadd.structure.core.Structure.delete_bonds
- Structure.delete_bonds(values)
Delete Bonds from this Universe.
- Parameters
values (iterable of tuples, AtomGroups, or Bonds; or TopologyGroup) – An iterable of: tuples of 2 atom indices, or AtomGroups with 2 atoms, or Bonds. If AtomGroups, Bonds, or a TopologyGroup are passed, they must be from the same Universe.
Example
Deleting bonds from a Universe:
import MDAnalysis as mda from MDAnalysis.tests.datafiles import PSF u = mda.Universe(PSF) # delete first 5 bonds u.delete_bonds(u.bonds[:5])
If you are deleting bonds in the form of AtomGroups, Bonds, or a TopologyGroup, they must come from the same Universe. If you want to delete bonds from another Universe, convert them to indices first.
from MDAnalysis.tests.datafiles import PDB u2 = mda.Universe(PDB) u.delete_bonds(u2.bonds.to_indices())
New in version 1.0.0.