[ 源代码： travis ]
软件包：travis（190101-1）
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.
其他与 travis 有关的软件包
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- dep: libc6 (>= 2.14)
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6-udeb
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- dep: libgcc1 (>= 1:3.0)
- GCC 支持库
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- dep: libstdc++6 (>= 5.2)
- GNU 标准 C++ 库，第3版
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- sug: cp2k
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- sug: gnuplot
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同时作为一个虚包由这些包填实： gnuplot-nox, gnuplot-qt, gnuplot-x11
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- sug: grace
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- sug: graphviz
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- sug: pymol
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