Load traj: Difference between revisions

From PyMOLWiki
Jump to navigation Jump to search
No edit summary
 
No edit summary
Line 1: Line 1:
===DESCRIPTION===
===DESCRIPTION===
'''load_traj''' reads trajectory files (currently just AMBER files). The file extension is used to determine the format.  AMBER files must end in ".trj"  
  "load_traj" reads trajectory files (currently just AMBER files).
 
  The file extension is used to determine the format.
   
  AMBER files must end in ".trj"  
===USAGE===
===USAGE===
<source lang="python">
  load_traj filename [,object [,state [,format [,interval [,average ]
load_traj filename [,object [,state [,format [,interval [,average ]
                      [,start [,stop [,max [,selection [,image [,shift
                  [,start [,stop [,max [,selection [,image [,shift  
                      ]]]]]]]]]
                  ]]]]]]]]]
</source>
 
===PYMOL API===
===PYMOL API===
<source lang="python">  
<source lang="python">  
  cmd.load_traj(filename,object='',state=0,format='',interval=1,
cmd.load_traj(filename,object='',state=0,format='',interval=1,
              average=1,start=1,stop=-1,max=-1,selection='all',image=1,
          average=1,start=1,stop=-1,max=-1,selection='all',image=1,
              shift="[0.0,0.0,0.0]")
          shift="[0.0,0.0,0.0]")
</source>
</source>


===NOTES===
===NOTES===
You must first load a corresponding topology file before attempting to load a trajectory file.
   
   
  You must first load a corresponding topology file before attempting
PyMOL does not know how to wrap the truncated octahedron used by Amber You will need to use the "ptraj" program first to do this.
  to load a trajectory file.
 
The average option is not a running average.  To perform this type of average, use the "smooth" command after loading the trajectory file.
  PyMOL does not know how to wrap the truncated octahedron used by Amber
 
  You will need to use the "ptraj" program first to do this.
  The average option is not a running average.  To perform this type of
  average, use the "smooth" command after loading the trajectory file.
===SEE ALSO===
===SEE ALSO===
[[Load]]
  [[Cmd load]]


[[Category:Commands|load_traj]]
[[Category:Commands|load_traj]]

Revision as of 14:48, 10 January 2006

DESCRIPTION

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

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

You must first load a corresponding topology file before attempting to load a trajectory file.

PyMOL does not know how to wrap the truncated octahedron used by Amber You will need to use the "ptraj" program first to do this.

The average option is not a running average. To perform this type of average, use the "smooth" command after loading the trajectory file.

SEE ALSO

Load