Source: travis
Section: science
Priority: optional
Maintainer: Debichem Team
Uploaders: Daniel Leidert
Build-Depends: debhelper (>> 11~)
Standards-Version: 4.3.0
Homepage: http://www.travis-analyzer.de
Vcs-Browser: https://salsa.debian.org/debichem-team/travis
Vcs-Git: https://salsa.debian.org/debichem-team/travis.git
Package: travis
Architecture: any
Depends: ${misc:Depends}, ${shlibs:Depends}
Suggests: cp2k, gnuplot, graphviz, pymol, grace
Description: trajectory analyzer and visualizer
TRAVIS (Trajectory Analyzer and Visualizer) is a free tool for analyzing
and visualizing trajectories from all kinds of Molecular Dynamics or
Monte Carlo simulations. The aim of TRAVIS is to collect as many analyses
as possible in one program, creating a powerful tool and making it
unnecessary to use many different programs for evaluating simulations.
This should greatly rationalize and simplify the workflow of analyzing
trajectories. The following analysis functions are available:
.
Static (time independent) Functions:
* Radial, Angular, Dihedreal or Combined Distribution Function
* Point-Plane or Point-Line Distance Distribution
* Plane Projection Distribution
* Fixed Plane Density Profile
* Density, Spatial or Dipole Distribution Function
.
Dynamic (time dependent) Functions:
* Velocity Distribution Function
* Mean Square Displacement / Diffusion Coefficients
* Velocity Autocorrelation Functions
* Vector Reorientation Dynamics
* Van Hove Correlation Function
* Aggregation Functions (DACF, DLDF, DDisp)
.
Spectroscopic Functions:
* Calculate Power Spectrum
* Calculate IR Spectrum
* Calculate Raman Spectrum
.
TRAVIS can read trajectory files in XYZ, PDB, LAMMPS or DLPOLY format.