Re: [h5md-user] Molecular viewer for H5MD/Mosaic trajectories

[Pierre de Buyl]

Hi Konrad,

Nice to have made a viewer!

No luck for me:
__main__.MolecularViewerError: The file u'/home/pierre/Downloads/2ONX.xml' could
not be loaded.

for both examples in the downloads of the bitbucket repo.

I install immutable and mosaic-python, have hdf5 1.8.11 and h5py 2.2

P

On Thu, Oct 10, 2013 at 06:12:49PM +0200, Konrad Hinsen wrote:
> Hi everyone,
> 
> A while ago I mentioned work on an integration of H5MD and Mosaic, and
> a simple molecular viewer for that combination that I was working on.
> All that is now on Github:
> 
>   The viewer:
>      https://github.com/khinsen/mosaic-viewer
> 
>   The Mosaic library:
>      https://github.com/mosaic-data-model/mosaic-python
> 
>   My daily-work branch of PyH5MD, which is what the viewer depends on:
>      https://github.com/khinsen/pyh5md
> 
> The viewer is currently limited to trajectories for non-periodic
> systems, since pyh5md doesn't handle time-dependent box data yet (and
> I think there is still no agreement in how it should be handled).
> 
> Konrad.
> -- 
> ---------------------------------------------------------------------
> 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: research AT khinsen DOT fastmail DOT net
> http://dirac.cnrs-orleans.fr/~hinsen/
> ORCID: http://orcid.org/0000-0003-0330-9428
> Twitter: @khinsen
> ---------------------------------------------------------------------
>