MolKit.getsecondarystructure: This module implements the classes GetSecondaryStructure,
GetSecondaryStructureFromFile, GetSecondaryStructureWeb, These
classes are expected to be specialized in getting the informations
on the secondary Structure of a protein and create a
secondarystructureset for a chain
MolKit.hydrogenBondBuilder: This module implements the HydrogenBondBuilder class which
builds hydrogen bonds between appropriate atoms.
MolKit.hydrogenBuilder: This module implements the HydrogenBuilder classes which add
hydrogens to AtomSets.
MolKit.interactionDescriptor: This module implements the InteractionDescriptor class which
builds sets of atoms in close contact and hydrogen bonds for two
Molecules
MolKit.introduction: This package contains a number of class to describe molecular
entities such as Molecules, Molecular surface
MolKit.listSet: This module implements a Set class that uses a List to store the
objects in the set.
MolKit.oxtBuilder: This module implements the OxtBuilder class which adds an oxygen
atom to a specific carbon atom, presumably in the c-terminus
residue.
MolKit.pdb2pqr.src.inputgen: inputgen class
Create an APBS input file using psize data
Written by Todd Dolinsky based on original sed script by Nathan Baker
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PDB2PQR -- An automated pipeline for the setup, execution, and analysis of
Poisson-Boltzmann electrostatics calculations
Nathan A.