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[ Quellcode: travis  ]

Paket: travis (170812-1)

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.

Andere Pakete mit Bezug zu travis

  • hängt ab von
  • empfiehlt
  • schlägt vor
  • dep: libc6 (>= 2.11) [i386]
    GNU C Library: Shared libraries
    auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
    dep: libc6 (>= 2.14) [amd64]
  • dep: libgcc1 (>= 1:3.0)
    GCC support library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • sug: cp2k
    Ab Initio Molecular Dynamics
  • sug: gnuplot
    Command-line driven interactive plotting program.
    auch ein virtuelles Paket, bereitgestellt durch gnuplot-nox, gnuplot-qt, gnuplot-x11
  • sug: grace
    XY graphing and plotting tool
  • sug: graphviz
    rich set of graph drawing tools
  • sug: pymol
    Molecular Graphics System

travis herunterladen

Download für alle verfügbaren Architekturen
Architektur Paketgröße Größe (installiert) Dateien
amd64 1.090,4 kB2959 kB [Liste der Dateien]
i386 1.110,2 kB3191 kB [Liste der Dateien]