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[h5md-user] Molecular viewer for H5MD/Mosaic trajectories
From: |
Konrad Hinsen |
Subject: |
[h5md-user] Molecular viewer for H5MD/Mosaic trajectories |
Date: |
Thu, 10 Oct 2013 18:12:49 +0200 |
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.
--
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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: research AT khinsen DOT fastmail DOT net
http://dirac.cnrs-orleans.fr/~hinsen/
ORCID: http://orcid.org/0000-0003-0330-9428
Twitter: @khinsen
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