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Paquet : travis (210521-1)

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.

Autres paquets associés à travis

  • dépendances
  • recommandations
  • suggestions
  • dep: libc6 (>= 2.34)
    GNU C Library: Shared libraries
    un paquet virtuel est également fourni par libc6-udeb
  • dep: libgcc-s1 (>= 3.3.1) [non armhf]
    GCC support library
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libstdc++6 (>= 11)
    GNU Standard C++ Library v3
  • sug: cp2k
    Ab Initio Molecular Dynamics
  • sug: gnuplot
    Command-line driven interactive plotting program.
    un paquet virtuel est également fourni par 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

Télécharger travis

Télécharger pour toutes les architectures proposées
Architecture Taille du paquet Espace occupé une fois installé Fichiers
amd64 1 421,8 ko3670 ko [liste des fichiers]
arm64 1 286,3 ko3190 ko [liste des fichiers]
armhf 1 554,8 ko3186 ko [liste des fichiers]
ppc64el 1 566,7 ko4398 ko [liste des fichiers]