Package trajectory

Modules for prody-related analysis

Submodules

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schrodinger.trajectory.BondRotator
schrodinger.trajectory.Torsion
schrodinger.trajectory.analysis: A module of classes to analyze Desmond trajectories.
schrodinger.trajectory.analysistool: Contains a base class AnalysisTool for creating analyses of schrodinger.trajectory.desmondsimulation.DesmondSimulation objects.
schrodinger.trajectory.analyze_trajectories: analyze_trajectories.py -- analyze a set of Desmond trajectories
schrodinger.trajectory.atomselection: A group of classes to help select atoms from trajectory frames.
schrodinger.trajectory.automatic_analysis_generator
schrodinger.trajectory.cmsstructure: A core class (CmsStructure) that is a complete description of the Desmond model system.
schrodinger.trajectory.desmondsimulation: A module to provide access to a Desmond simulation.
schrodinger.trajectory.ffstructure: A wrapper module to ease use of the mmffio library.
schrodinger.trajectory.hydrophobiccontactfinder: A module of classes to analyze Desmond trajectories.
schrodinger.trajectory.jcoupling: A module of classes to analyze NMR Jcouplings in Desmond trajectories.
schrodinger.trajectory.lipid_analysis: A modue of classes to analyze Desmont trajectories of bilayer systems
schrodinger.trajectory.order_parameters: A modue of classes for calculating order parameters
schrodinger.trajectory.pbc_manager
schrodinger.trajectory.prody: Modules for trajectory analysis and manipulation.
- schrodinger.trajectory.prody.compare: This module defines functions for comparing normal modes from different models.
- schrodinger.trajectory.prody.crosscorrelation: This module defines functions for calculating atomic properties from normal modes.
- schrodinger.trajectory.prody.ensemble
- schrodinger.trajectory.prody.main
- schrodinger.trajectory.prody.main2
- schrodinger.trajectory.prody.mode: This module defines classes for handling mode data.
- schrodinger.trajectory.prody.modeset: This module defines a pointer class for handling subsets of normal modes.
- schrodinger.trajectory.prody.nma: This module defines a class handling normal mode analysis data.
- schrodinger.trajectory.prody.pca: This module defines classes for principal component analysis (PCA) and essential dynamics analysis (EDA) calculations.
- schrodinger.trajectory.prody.test_arrow
- schrodinger.trajectory.prody.writenmd: This module defines input and output functions for NMD format.
schrodinger.trajectory.proteininteractionsfinder: A module of classes to analyze Desmond trajectories.
schrodinger.trajectory.protliginteractionfinder: Developed by Dmitry Lupyan
schrodinger.trajectory.rdf: This script will launch a Radial Distribution Function (RDF or g(r) or gofr) calculation.
schrodinger.trajectory.rdf_backend
schrodinger.trajectory.rmsd2d: A module to calculte 2D RMSD for Desmond trajectories using threading/multiprocessing.
schrodinger.trajectory.saltbridgefinder: A module of classes to analyze Desmond trajectories.

Variables

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__package__ = None
hash(x)