QTWARE

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

An application for evaluation of thermoelectric properties and its visualization. Seebeck coefficients and Peltier coefficients can be calculated from output of the first-principles applications, OpenMX and TranSIESTA. Obtained results as well as electron density and density of states can be visualized.

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Rasmol

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

A simple open-source application for visualization compatible to Protein Data Bank (PDB) format. This application also supports other formats such as Sybyl, Molden, Mopac, and CHARMM. It is a pioneering piece of software as an interactive PDB viewer.

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SHRY

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

A python tool for generating symmetry-inequivalent supercell structures from a CIF file containing site occupancy information. SHRY can be used as a command-line tool as well as a module in a python script.

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TAPIOCA

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

A tool of input-file preparation and visualization for xTAPP, an application of the first-principle calculation. By graphical user interface (GUI), this application helps xTAPP users for making input files, and visualizes results of wavefunctions, electron densities, and potential profiles into three-dimensional graphics from output files.

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Tecplot

  • Level of openness 0 ☆☆☆
  • Document quality 2 ★★☆

Payware for visualization of computational fluid dynamics and general numerical simulation. This application provides an integrated environment for two- and three- dimensional graph drawing, and supports interactive visualization of data with many options such as slices, contours, and stream traces. It also supports visualization of large-scale data and efficient comparison between many data sets.

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VESTA

  • Level of openness 2 ★★☆
  • Document quality 2 ★★☆

A piece of software for obtaining crystal structure and visualizing three-dimensional data that runs on Windows, Linux, and Mac OS X platforms. It can handle 30 structure data formats and 17 volumetric data formats for input, and 13 structure data formats and 6 volumetric data formats for output. It is distributed free of charge in binary format for noncommercial purposes.

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VisBAR

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆
A set of Python scripts for post-simulation data analysis of large-scale electronic state calculations. Currently the open script is ‘VisBAR Wave Batch’ that visualizes many wavefunctions, as isosurfaces, simultaneously. The script generates picture files in PNG and other formats from grid data files in the Gaussian cube format. Many data files can be treated in parallelism by MPI.
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VMD

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

An open-source application for modeling, visualization, and analysis of biomolecule systems such as proteins, nuclear acids, and lipid bilayers. This application visualizes biomolecules by reading Protein Data Bank (PDB) files. It supports various options in rendering and coloring of molecules, and also can animate the result of a molecular dynamics simulation.

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Winmostar

  • Level of openness 2 ★★☆
  • Document quality 2 ★★☆

Integrated applications for quantum chemical, molecular dynamics, and first-principles calculations. Users can perform all the operations necessary for simulation by mouse operation, from creating input files, to performing calculations, to analyzing and displaying results. It supports open source software such as GAMESS, NWChem, Gromacs, LAMMPS, Quantum ESPRESSO and OpenMX, as well as industry-standard software such as MOPAC and Gaussian.

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wxMacMolPlt

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

An open-source application for visualization developed for input and output of GAMESS. This application supports various types of input formats such as GAMESS, XYZ, MolDel, pdb, and CML as well as input by GUI and the Z-matrix format. It can visualize molecular orbitals, electron densities, electrostatic potentials, and normal modes, and can output results into various formats.

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