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[ Източник: travis  ]

Пакет: travis (170812-1)

Връзки за travis

travis

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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.

Други пакети, свързани с travis

  • зависимости
  • препоръчани
  • предложени
  • dep: libc6 (>= 2.11) [i386]
    GNU C Library: Shared libraries
    също и виртуален пакет, предлаган от 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.
    също и виртуален пакет, предлаган от 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

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Архитектура Големина на пакета Големина след инсталиране Файлове
amd64 1 090,4 кБ2959 кБ [списък на файловете]
i386 1 110,2 кБ3191 кБ [списък на файловете]