[AMBER-Developers] Managing and sharing AMBER MD data

From: Julien Thibault <tchetchenko.gmail.com>
Date: Thu, 3 May 2012 14:06:24 -0600

Hi all,
Iím currently working with the Cheatham Lab at the University of Utah,
trying to develop a system that would facilitate biomolecular
simulation data management and sharing at the community level. We are
now focusing on AMBER data but we plan to extend it to other software
and QM calculations.

We prepared a survey to find out which data elements are important to
index simulation data and allow community-level queries.
You can take the survey here (it takes about 4 minutes):
The vision is to eventually make this open source and open access, so
your feedback is important.

Also, we developed a data model that could be used to standardize the
way data is exchanged between sites/labs. If you have any experience
in data modeling (UML), feel free to contact me. We are looking for
people to validate the model, and possibly participate in a paper that
would show our findings.


Julien Thibault

University of Utah
Department of Biomedical Informatics
26 South 2000 East Room 5775 HSEB
Salt Lake City, UT 84112

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Received on Thu May 03 2012 - 13:30:03 PDT
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