Materials Processes and Simulations (MAPS) gives researchers access to powerful building, visualization and analysis tools in a single user interface together with access to multiple simulation engines.
Chemical structures can be read from many common file formats and experimental results shared via a single XML document.
In other words, MAPS provides a complete platform for molecular modeling in material science.
MAPS client provides a complete toolkit for materials modeling.
Visualization and sketching
- 3D visualization and sketching with multiple undo
- display options, labels and measurements
- force-field based Optimizer
Builders
- amorphous builder
- crystal builder, surface builder, polymer builder
- mesoscale builder
Analysis
- graphs and charts
- built-in property calculators
- densities, electrostatic potentials, orbitals
- animate trajectories, record movies, vibrational analysis
Workflow
- project manager shows what is loaded into this MAPS session
- database manager shows what is available
- property viewer shows standard and user-defined properties at all levels
- job manager shows status of simulation tasks
- choice of node-locked or floating license
Import/export
- to the most commonly used file formats
- to MAPS CML format for projects, molecules, experiments and study tables
- to MAPS database [which enables sub-structure and property searching]
- save images
Scripting and extensibility
- built-in python API
- launch python scripts from additional toolbar icons
- integrate any materials simulation code by simply creating and loading the appropriate plug-in
