diff --git a/modules/mol/alg/doc/molalg.rst b/modules/mol/alg/doc/molalg.rst index 237a5c3444d3ec8f1300e04477d9acc8c59c19d2..550c5d803871adc562e1253ed61a4c73330a5434 100644 --- a/modules/mol/alg/doc/molalg.rst +++ b/modules/mol/alg/doc/molalg.rst @@ -465,6 +465,33 @@ Local Distance Test scores (lDDT, DRMSD) :type structural_checks: bool :param cutoffs_length: Length of the cutoffs list used for calculations :type cutoffs_length: int + +.. class:: StereoChemicalProps(bond_table, angle_table, nonbonded_table) + + Object containing the stereo-chemical properties read form stereochmical_props.txt + file. + + :param bond_table: Sets :attr:`bond_table` + :param angle_table: Sets :attr:`angle_table` + :param nonbonded_table: Sets :attr:`nonbonded_table` + + .. attribute:: bond_table + + Object containing bond parameters + + :type: :class:`~ost.mol.alg.StereoChemicalParams` + + .. attribute:: angle_table + + Object containing angle parameters + + :type: :class:`~ost.mol.alg.StereoChemicalParams` + + .. attribute:: nonbonded_table + + Object containing clashing distances parameters + + :type: :class:`~ost.mol.alg.ClashingDistances` .. class:: lDDTSettings(radius=15, \