Library for developing new analysis applications that simplifies the common tasks like reading structure and trajectory files, selecting atoms, computing geometric quantities. #Analyze molecular dynamics #Molecular dynamics analysis #Structure analysis library #Analyzer #Analyze #Analysis
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 LOOS 2.2.5:
- Fixed handling of non-netCDF Amber files when buildind LOOS with netCDF support
- Fixed reading of Amber prmtop files with mixed case format specifiers
- Fixed bug in merge-traj that required downsampled dcd filename
- Fixed bug in fcontacts resulting in NaN's in output if there are no target atoms near the probe.
LOOS 2.2.5
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- Mac OS X (PPC & Intel)
- file size:
- 59.4 MB
1 screenshot:
- main category:
- Development
- developer:
- visit homepage
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