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  • Installation
  • New to Python
  • Examples
  • What’s New?
  • Trajectory Reference
  • Analysis Reference
  • Atom Selection Reference
  • Low-level API
  • OpenMM Reporters
  • MDTraj Utils
  • mdconvert (mdconvert-mdtraj)
  • MDTraj HDF5 Format Specification
MDTraj
  • Overview: module code

All modules for which code is available

  • mdtraj._lprmsd
  • mdtraj._rmsd
  • mdtraj.core.topology
  • mdtraj.core.trajectory
  • mdtraj.formats.amberrst
  • mdtraj.formats.arc
  • mdtraj.formats.dcd
  • mdtraj.formats.dtr
  • mdtraj.formats.gro
  • mdtraj.formats.hdf5
  • mdtraj.formats.hoomdxml
  • mdtraj.formats.lammpstrj
  • mdtraj.formats.lh5
  • mdtraj.formats.mdcrd
  • mdtraj.formats.netcdf
  • mdtraj.formats.openmmxml
  • mdtraj.formats.pdb.pdbfile
  • mdtraj.formats.prmtop
  • mdtraj.formats.trr
  • mdtraj.formats.xtc
  • mdtraj.formats.xyzfile
  • mdtraj.geometry.angle
  • mdtraj.geometry.contact
  • mdtraj.geometry.dihedral
  • mdtraj.geometry.distance
  • mdtraj.geometry.drid
  • mdtraj.geometry.dssp
  • mdtraj.geometry.hbond
  • mdtraj.geometry.neighbors
  • mdtraj.geometry.order
  • mdtraj.geometry.rdf
  • mdtraj.geometry.rg
  • mdtraj.geometry.sasa
  • mdtraj.geometry.shape
  • mdtraj.geometry.thermodynamic_properties
  • mdtraj.nmr.scalar_couplings
  • mdtraj.nmr.shift_wrappers
  • mdtraj.reporters.dcdreporter
  • mdtraj.reporters.hdf5reporter
  • mdtraj.reporters.netcdfreporter
  • mdtraj.utils
    • mdtraj.utils.contextmanagers
    • mdtraj.utils.delay_import
    • mdtraj.utils.rotation
    • mdtraj.utils.unit
    • mdtraj.utils.unitcell
    • mdtraj.utils.validation

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