Module `protkit.tools`

tools is a package that contains classes that perform specific tasks on proteins. These include tasks such as docking, folding, affinity prediction, and more.

Expand source code

"""
`tools` is a package that contains classes that perform specific tasks on proteins.
These include tasks such as docking, folding, affinity prediction, and more.
"""

from .freesasa_adaptor import FreeSASAAdaptor
from .pdb2pqr_adaptor import PDB2PQRAdaptor
from .reduce_adaptor import ReduceAdaptor
from .propka_adaptor import PropkaAdaptor

Sub-modules

protkit.tools.abnumber_adaptor
protkit.tools.freesasa_adaptor: Implements class FreeSASAAdaptor to calculate the accessible surface area (ASA) of proteins using the FreeSASA library.
protkit.tools.pdb2pqr_adaptor: Implements class PDB2PQRAdaptor. The PDB2PQRAdaptor class provides an interface to the pdb2pqr software, which is used to convert PDB files to PQR …
protkit.tools.propka_adaptor: Implements class PropkaAdaptor. The PropkaAdaptor class provides an interface to the propka software, which is used to calculate pKa values of …
protkit.tools.reduce_adaptor: Implements class ReduceAdaptor. The ReduceAdaptor class provides an interface to the Reduce software, which is used to add hydrogens to protein …