Module protkit.properties

Package properties contains classes to calculate properties of proteins.

Properties are divided into various categories:

• Chemical Identity: Properties that describe the chemical composition of molecules.
• Physiochemical: Properties that describe the physical and chemical characteristics of molecules.
• Pharmacophore: Properties that relate to the recognition and binding of a molecule to its biological target.
• Structural: Properties related to the three-dimensional structure of a molecule.

"""
Package `properties` contains classes to calculate properties of proteins.

Properties are divided into various categories:

- Chemical Identity: Properties that describe the chemical composition of molecules.
- Physiochemical: Properties that describe the physical and chemical characteristics of molecules.
- Pharmacophore: Properties that relate to the recognition and binding of a molecule to its biological target.
- Structural: Properties related to the three-dimensional structure of a molecule.
"""

from .bond_angles import BondAngles
from .bond_lengths import BondLengths
from .bounds import Bounds
from .charge import Charge
from .chemical_class import ChemicalClass
from .charge import Charge
from .circular_variance import CircularVariance
from .dihedral_angles import DihedralAngles
from .donors_acceptors import DonorsAcceptors
from .hydrophobicity import Hydrophobicity
from .interface import Interface
from .mass import Mass
from .polarity import Polarity
from .surface_area import SurfaceArea
from .vdw_radius import VDWRadius
from .volume import Volume

Sub-modules

protkit.properties.bond_angles

Implements class to calculate bond angles BondAngles to calculate bond angles in a residue, chain or protein.

protkit.properties.bond_lengths

Implements class BondLengths to calculate the bond lengths in a residue, chain or protein.

protkit.properties.bounds

Implements class Bounds to calculate the bounds and center of a residue, chain or protein …

protkit.properties.charge

Implements class Charge to calculate the charge of a residue, chain, protein or sequence …

protkit.properties.chemical_class

Implements class ChemicalClass to represent the chemical class of a residue …

protkit.properties.circular_variance

Implements class CircularVariance to calculate the circular variance of a protein …

protkit.properties.dihedral_angles

protkit.properties.donors_acceptors

Implements class DonorsAcceptors to represent the donors and acceptors of hydrogen bonds.

protkit.properties.hydrophobicity

Implements class Hydrophobicity to calculate the hydrophobicity and hydrophobicity class of a residue, chain, protein or sequence …

protkit.properties.interface

Implements class Interface to represent an interface between two proteins …

protkit.properties.mass

Implements class Mass to calculate the mass of an atom, residue, chain, protein or sequence …

protkit.properties.polarity

Implements class Polarity to calculate the polarity of a residue, chain, protein or sequence …

protkit.properties.surface_area

Implements class SurfaceArea to calculate the surface area of proteins …

protkit.properties.vdw_radius

Implements class VDWRadius to provide van der Waals radii for atoms.

protkit.properties.volume

Implements class Volume to calculate the volume of a protein, chain, residue or sequence …