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Version 0.8.1 of esra

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• 0.8.1

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•  16 Jan 2007 08:12
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• Minor feature enhancements

Release Notes: Bugfixes were made. Preliminary support for gromacs-formatted coordinate files was added.

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• 0.8.0

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•  04 Jul 2006 06:23
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• Major feature enhancements

Release Notes: Lots of bugfixes, extra unit tests, and documentation were introduced. All the remaining functionality needed to perform simple molecular dynamics and Monte-Carlo simulations was added.

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• 0.6

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•  06 Mar 2006 07:44
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• Code cleanup

Release Notes: The package system was cleaned up. Minor bugfixes were done.

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• 0.3

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•  24 Nov 2005 04:11
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• Major feature enhancements

Release Notes: This stable version features a pure Java classical force field (a simplistic version of the GROMOS96 force field), a (non-periodic)Poisson-Boltzmann solver, Dssp secondary structure assignment, limited support for SYBYL/MOL2 and X-PLOR file formats, and large amounts of documentation.

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• 0.1

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•  28 Sep 2005 08:58
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• Initial freshmeat announcement

Release Notes: This is the first stable release. It features the basic building blocks for the analysis of molecular mechanics data. Its IO routines support formats that include GROMOS96, PDB, vmd/AMBER, and SYBYL/mol2. It has a Java linear algebra library, basic (geometric) analysis tools such as rmsds, fitting procedures, distance/angle/dihedral measurements, and hydrogen bond analysis.