[MMTK] How to add frames to a trajectory object?

Konrad Hinsen hinsen at cnrs-orleans.fr
Thu Oct 16 18:16:12 UTC 2008


On 15.10.2008, at 16:39, Jose Borreguero wrote:

> I am not familiar with Trajectory objects so I ignore how to insert  
> the frames. Could anybody point me where to start looking in the  
> code, please ?

The best starting point is the following example script:

http://dirac.cnrs-orleans.fr/MMTK/using-mmtk/mmtk-example-scripts/ 
trajectory-handling/building-a-trajectory-step-by-step/

A more complicated example, but also much closer to what you want to  
do, is the DCD-to-netCDF converter that comes with nMOLDYN:

http://dirac.cnrs-orleans.fr/hg/nMOLDYN/stable/file/a5adf9f42983/ 
dcd_to_nc

Konrad.
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Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: hinsen at cnrs-orleans.fr
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