X-Ability Winmostar 11.15

X-Ability Winmostar

X-Ability Winmostar is a software suite for scientific calculations in the fields of molecular modeling, quantum chemistry, and molecular dynamics.

The program supports the following computing engines: GAMESS, MOPAC, Quantum ESPRESSO, LAMMPS, GROMACS.

Winmostar acts as a wrapper/interface through which the user can run these engines, visualize the results, prepare input files, and analyze the output.

Winmostar supports a wide range of physical quantities: spectra (IR, UV-Vis, etc.), properties of solids (band structure, density of states), thermodynamic parameters, distributions, dynamic properties, etc.

Features and functionality

• Creation and editing of molecular/crystal structures
• Preparation of calculation parameters (method type, basis, conditions, tasks) via GUI, instead of manual editing of text files
• Calculations can be run locally or on remote computing resources/servers
• Post-processing and analysis – visualization of results, display of distributions, spectra, properties (energy, electron density, etc.)
• Automation – file management, workflow automation, switching between resources and file formats