LOOS 2.0.6

Lightweight Object Oriented Structure analysis library
LOOS
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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

last updated on:
June 21st, 2013, 13:57 GMT
file size:
4.7 MB
price:
FREE!
license type:
GPL 
developed by:
LOOS Team
operating system(s):
Mac OS X
binary format:
Universal Binary
category:
Home \ Development \ Libraries
LOOS
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What's New in This Release:
  • This release addresses a number of bugs and includes a few improvements and new tools.
  • The bugs include ones in gmxdump2pdb.pl where hybrid-36 encoding was used where it shouldn't have been, and problems handling cases with more topology segments than molecular segments (as can happen with bilayer systems).
  • A bug in serial-selection was addressed that caused the output to be interleaved by molecule rather than contiguous.
  • We have seen some cases where DCD trajectories could have 0 frames listed in the DCD header, yet the trajectory has many frames. Instantiating the DCD (or pTraj) for these trajectories would cause LOOS to throw an exception.
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