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  • Last update: 5 years ago
  • Total downloads: 76
  • Operating system: Mac OS X
  • Publisher: LOOS Team
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mac default iconLOOS for Mac Publisher's description

Lightweight Object Oriented Structure analysis library

LOOS aims to provide a free and open source C++ library for the analysis of molecular dynamics simulations. This includes parsing a number of PDB format variants, as well as the native system description and trajectory formats for CHARMM, NAMD, and Amber.

LOOS is not intended to be an all-encompassing library and it is primarily geared towards reading data in and processing it rather than writing multiple formats.

While a number of useful tools are also included in LOOS, the goal of LOOS is to facillitate tools that you write, not duplicate the functionality of CHARMM, ptraj, or GROMACS

What's New in This Release:

В· Two bugs affecting Amber restart files have been fixed: the readFrame() iterator indicated an end-of-file on the first read, and a variant of the restart file format was incorrectly read.
В· In addition, the "segname" property in the atom selection parser (a synonym for "segid") was not correctly recognized and flagged as a parse error. Finally, the eigenvalues returned by AtomicGroup::principalAxes() are now scaled by the number
В· of atoms used in the calculation.

System Requirements:

В· XCode
В· SCons
В· Boost
Program Release Status: New Release
Program Install Support: Install and Uninstall

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