collective variable package
===========================

This module provides access to `CVPack <https://cvpack.readthedocs.io/en/latest/>`_,
an external library of useful collective variables.

Some examples of collective variables implemented in ``CVPack`` are:

* `Angle <https://cvpack.readthedocs.io/en/latest/api/Angle.html>`_:
    angle formed by three atoms
* `Atomic Function <https://cvpack.readthedocs.io/en/latest/api/AtomicFunction.html>`_:
    a user-defined function of the coordinates of a group of atoms
* `Attraction Strength <https://cvpack.readthedocs.io/en/latest/api/AttractionStrength.html>`_:
    strength of the attraction between two groups of atoms
* `Centroid Function <https://cvpack.readthedocs.io/en/latest/api/CentroidFunction.html>`_:
    a user-defined function of the centroids of groups of atoms
* `Distance <https://cvpack.readthedocs.io/en/latest/api/Distance.html>`_:
    distance between two atoms
* `Helix angle content <https://cvpack.readthedocs.io/en/latest/api/HelixAngleContent.html>`_:
    alpha-helix angle content of a sequence of residues
* `Helix H-bond content <https://cvpack.readthedocs.io/en/latest/api/HelixHBondContent.html>`_:
    alpha-helix hydrogen-bond content of a sequence of residues
* `Helix RMSD content <https://cvpack.readthedocs.io/en/latest/api/HelixRMSDContent.html>`_:
    alpha-helix RMSD content of a sequence of residues
* `Helix torsion content <https://cvpack.readthedocs.io/en/latest/api/HelixTorsionContent.html>`_:
    alpha-helix Ramachandran content of a sequence of residues
* `Number of contacts <https://cvpack.readthedocs.io/en/latest/api/NumberOfContacts.html>`_:
    number of contacts between two groups of atoms
* `Radius of gyration <https://cvpack.readthedocs.io/en/latest/api/RadiusOfGyration.html>`_:
    radius of gyration of a group of atoms
* `RMSD <https://cvpack.readthedocs.io/en/latest/api/RMSD.html>`_:
    root-mean-square deviation of atoms with respect to a reference structure
* `Torsion <https://cvpack.readthedocs.io/en/latest/api/Torsion.html>`_:
    torsion angle formed by four atoms
* `Torsion similarity <https://cvpack.readthedocs.io/en/latest/api/TorsionSimilarity.html>`_:
    degree of similarity between pairs of torsion angles