pydseamslib.cyoda.getHbondDistanceOH

pydseamslib.cyoda.getHbondDistanceOH#

pydseamslib.cyoda.getHbondDistanceOH(oCloud: pydseamslib.cyoda.PointCloudDouble, hCloud: pydseamslib.cyoda.PointCloudDouble, oAtomIndex: int, hAtomIndex: int) → float#

Calculates the distance of the hydrogen bond between O and H (of different atoms)

Parameters:

  • oCloud (The molSys::PointCloud for the oxygen atoms only)

  • hCloud (The molSys::PointCloud for the hydrogen atoms only)

  • oAtomIndex (The index (in the oCloud) of the oxygen atom)

  • hAtomIndex (The index (in the hCloud) of the hydrogen atom)

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