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Re: [h5md-user] H5MD for proteins

From: Konrad Hinsen
Subject: Re: [h5md-user] H5MD for proteins
Date: Tue, 10 Sep 2013 12:27:20 +0200

Pierre de Buyl writes:

 > Peter followed your suggestion to use compact datasets and units are back in 
 > the
 > specification, as attributes to the datasets. See
 > http://nongnu.org/h5md/draft.html#time-dependent-data and
 > http://nongnu.org/h5md/draft.html#time-independent-data


 > Anyway, H5MD does not mandate the presence of mass data, nor of
 > species data.  You can have a valid H5MD file with only, say,
 > positions.


I'll start producing some trajectories and see how far I get.

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
ORCID: http://orcid.org/0000-0003-0330-9428
Twitter: @khinsen

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