From: Ivan Gregoretti (ivangreg_at_gmail.com)
Date: Tue Sep 09 2014 - 12:09:49 CDT
Ivan Gregoretti, PhD
On Mon, Sep 8, 2014 at 6:19 PM, Robert McGibbon <rmcgibbo_at_gmail.com> wrote:
> We are happy to announce the 1.0 release of MDTraj.
> MDTraj is a modern, lightweight and efficient software package for analyzing
> molecular dynamics trajectories.
> It reads trajectory data from a wide variety of formats, including those
> used by AMBER, GROMACS, CHARMM,
> NAMD and TINKER. The package has a strong focus on interoperability with the
> wider scientific Python ecosystem.
> The 1.0 release indicates substantial stabilization of the package, and a
> strong commitment to backward compatibility.
> New features since the 0.9 release include interactive WebGL-based protein
> visualization in IPython notebook
> and a full implementation of DSSP secondary structure assignment.
> More information, detailed release notes, downloads and a large number of
> example analysis notebooks
> can be found at http://mdtraj.org.
> Robert T. McGibbon and the MDTraj Development Team
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