Load Traj

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load_traj reads trajectory files (currently just AMBER files). The file extension is used to determine the format. AMBER files must end in ".trj"

In newer builds of PyMOL (namely, version 1.0 or newer), several additional formats are accepted. CHARMM trajectories (".dcd") are also valid files and only require a structure to be loaded first while the trajectory file gets loaded as sequential states into the associated object. However, it should be noted that, unless the defer_builds_mode is set (to 3), loading a large trajectory may take up a lot of RAM.

Contents

USAGE

load_traj filename [,object [,state [,format [,interval [,average ]
                   [,start [,stop [,max [,selection [,image [,shift 
                   ]]]]]]]]]

PYMOL API

 
cmd.load_traj(filename,object='',state=0,format='',interval=1,
           average=1,start=1,stop=-1,max=-1,selection='all',image=1,
           shift="[0.0,0.0,0.0]")

NOTES

useful notes from the email list:
http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg04272.html
http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg10266.html

in one line convert dcd and psf to pdb :

catdcd -o all.pdb -otype pdb -s autopsf.psf -stype psf out.dcd

SEE ALSO

Load, defer_builds_mode

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