Package schrodinger :: Package application :: Package desmond :: Package packages

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Package packages

Submodules

schrodinger.application.desmond.packages.analysis: Classes and functions for trajectory-based analysis
schrodinger.application.desmond.packages.cui: Common command-line interface for Desmond scripts
schrodinger.application.desmond.packages.msys: This is the high-level Python interface for msys, intended for use by chemists.
- schrodinger.application.desmond.packages.msys.atomsel
- schrodinger.application.desmond.packages.msys.cealign
- schrodinger.application.desmond.packages.msys.grease
- schrodinger.application.desmond.packages.msys.groups
- schrodinger.application.desmond.packages.msys.inchi
- schrodinger.application.desmond.packages.msys.knot: Given a system, find any instances where a bond is 'threaded' through a ring, like so
- schrodinger.application.desmond.packages.msys.molfile: Structure and coordinate file manipulation library.
- schrodinger.application.desmond.packages.msys.posre
- schrodinger.application.desmond.packages.msys.reorder
- schrodinger.application.desmond.packages.msys.sequence
- schrodinger.application.desmond.packages.msys.thermalize
- schrodinger.application.desmond.packages.msys.update
- schrodinger.application.desmond.packages.msys.validate
- schrodinger.application.desmond.packages.msys.vdw
- schrodinger.application.desmond.packages.msys.wrap
schrodinger.application.desmond.packages.timer: Facilities for timing a block of code.
schrodinger.application.desmond.packages.topo: Functionalities to handle molecular topologies
schrodinger.application.desmond.packages.traj: Molecular dynamics trajectory handling module Define common APIs for various trajectory formats.
schrodinger.application.desmond.packages.traj_util: Advanced utilities for trajectory handling

Variables

__package__ = 'schrodinger.application.desmond.packages'