[Chimera-users] netCDF trajectories?
John R. Frank
jrf at mit.edu
Mon Nov 22 17:22:45 PST 2004
> > 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:
You can regenerate this yourself by installing MMTK and running the python
on that page. Here's where to get MMTK:
Other examples are listed here:
Thanks! Let me know what else I can do to help.
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