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pmx_trajectory.md

dseeliger edited this page Mar 31, 2015 · 1 revision

This module contains the Trajectory class which ( so far ) can read xtc files

class xtc.Trajectory()

methods:

Trajectory.open_xtc( xtc_file )          ( open xtc file for reading )
Trajectory.read_first_xtc()                ( read first frame )
Trajectory.read_next_xtc()                ( read next frame )
Trajectory.update_atoms( model )                ( update coords in the model )
Trajectory.close_xtc()                ( close file )

Constructors:

>>> trj = Trajectory( "traj.xtc")        # open xtc file for reading
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