diff --git a/prody/proteins/interactions.py b/prody/proteins/interactions.py index 3f2ff640b..4eeec225e 100644 --- a/prody/proteins/interactions.py +++ b/prody/proteins/interactions.py @@ -3780,6 +3780,22 @@ def getAtoms(self): return self._atoms + + def setLigandInteractions(self, atoms, interaction): + """Replace protein-ligand interactions + for example byb using getLigandInteractions() with filters to select particular ligand. + + :arg atoms: an Atomic object from which residues are selected + :type atoms: :class:`.Atomic` + + :arg interactions: list of interactions + :type interactions: list + """ + + self._interactions_traj = interaction + self._atoms = atoms + LOGGER.info('Protein-ligand interactions are replaced.') + def getLigandInteractionsNumber(self, **kwargs): """Return the number of interactions per each frame. Number of interactions can