[Chimera-users] netCDF trajectories?

[John R. Frank]

> > Based on this posting, I deduce that Chimera's Movie capability cannot
> > yet display netCDF trajectories:
> > http://www.cgl.ucsf.edu/pipermail/chimera-users/2004-June/000171.html
> >
> > MMTK generates netCDF trajectories.  Can you recommend any
> > already-built tools for converting them to multi-model PDBs?  Or,
> > perhaps you can direct me to the parts of Chimera where I could help
> > add netCDF trajectory support?

> 	Your deduction is correct.  DCD support is in there but not
> netCDF.  Given MMTK's fairly clean layout of its trajectory info, I
> think it would be faster for me to add the support than guiding you in
> adding it.  Just FYI, it's not reasonably straightforward to add a new
> format and outside people have done it, but in this particular case I
> should just do it (unless you anticipate wanting yet more formats, in
> which case I _should_ show you how).
> 	What I would definitely need is an example trajectory or two.
> Can you provide such?

Tom,  attached is a simple .nc trajectory generated from this example code
provided on the MMTK Web site:
http://starship.python.net/crew/hinsen/MMTK/Manual/Examples/Trajectories/snapshot.py.html

You can regenerate this yourself by installing MMTK and running the python
on that page.  Here's where to get MMTK:
http://starship.python.net/crew/hinsen/MMTK/download.html

Other examples are listed here:
http://starship.python.net/crew/hinsen/MMTK/examples.html


Thanks!  Let me know what else I can do to help.

Yours, John

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