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Paket: travis (190101-1build1)

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.

travis ile İlgili Diğer Paketler

  • bağımlılıklar
  • tavsiye edilen
  • önerilen
  • dep: libc6 (>= 2.29)
    GNU C Library: Shared libraries
    ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
  • dep: libgcc-s1 (>= 3.0) [amd64]
    GCC support library
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • sug: cp2k
    Ab Initio Molecular Dynamics
  • sug: gnuplot
    Command-line driven interactive plotting program.
    ayrıca şunun tarafından sağlanan bir sanal paket 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 indir

Tüm mevcut mimariler için indir
Mimari Paket Boyutu Kurulu Boyut Dosyalar
amd64 1.274,4 kB3572 kB [dosya listesi]
armhf 1.143,4 kB2571 kB [dosya listesi]