CRYSPLOT

CRYSPLOT visualizes computed properties of periodic systems by parsing CRYSTAL code outputs and producing publication-quality plots for analysis of crystalline materials.

Key Features:

• CRYSTAL output support: Parses and interprets computed properties generated by the CRYSTAL code.
• Periodic properties visualization: Produces graphical representations of properties specific to periodic systems and crystalline solids.
• Plotting with Plotly.js: Uses the Plotly.js JavaScript library to generate high-quality, customizable scientific graphics.
• JavaScript-based data handling: Implements JavaScript routines to parse input files, extract relevant data, and organize it into structured objects.
• Modular input-format support: Employs a modular design that facilitates incorporation of additional input data formats.
• Publication-quality customization: Provides options to tailor plot appearance and layout for scientific publication standards.

Scientific Applications:

• Metal–organic frameworks (MOFs): Visualizes computed properties of MOFs derived from CRYSTAL calculations to support structural and property analysis.
• Crystalline materials analysis: Represents computed periodic-system properties to aid interpretation of electronic, structural, or other computed material descriptors.

Methodology:

Implemented in JavaScript; parses CRYSTAL input/output files, extracts relevant computed-property data, organizes data into structured objects, and passes these objects to Plotly.js for plotting; modular architecture supports additional input formats.