CrystalExplorer is a comprehensive software application that allows for the visualization of molecular crystals. With its complete set of features, it enables users to fully explore and analyze complex molecular structures.
CrystalExplorer is a powerful and versatile software tool that provides full-featured molecular crystal visualization across multiple platforms, including Mac OS X, Windows, and Linux. Designed to offer a unique way of visualizing molecular crystals using the full suite of Hirshfeld surface tools, CrystalExplorer is an essential tool for researchers and academics alike.
One of the key features of CrystalExplorer is the Hirshfeld surface, which offers a unique definition of a molecule in a crystal. With CrystalExplorer, you can generate and display Hirshfeld surfaces the way they were meant to be seen, and even map properties on the surface, including de, dnorm, shape index, and curvedness. Each color scheme provides visual insights into different aspects of the crystal packing, making it easier to discover what might have been difficult to find using traditional means.
Another critical feature of CrystalExplorer is the fingerprint plot, which offers a full-color, two-dimensional representation of all intermolecular interactions in a crystal structure. This unique feature provides a rapid and full understanding of the nature of intermolecular interactions in a crystal that can be reproduced on screen or paper.
With CrystalExplorer 2, users gain access to decomposed surfaces and fingerprints, enabling them to focus on particular types of intermolecular interactions. This feature makes it easy to see which parts of the molecule are involved in particular types of intermolecular interactions while performing quantitative comparisons between structures based on the contribution to the surface of a given interaction.
Users also have access to POV-Ray export, enabling them to produce high-resolution graphics with just one click for use in journals, posters, and other graphics-intensive projects. Finally, the open-source program Tonto, which drives CrystalExplorer's calculations, offers fully-featured quantum-mechanical capabilities with the ability to calculate properties such as electrostatic potentials and ab initio molecular electron densities. This feature makes it easy to map various properties onto the Hirshfeld surface, making CrystalExplorer an invaluable tool for researchers and academics across multiple fields.
One of the key features of CrystalExplorer is the Hirshfeld surface, which offers a unique definition of a molecule in a crystal. With CrystalExplorer, you can generate and display Hirshfeld surfaces the way they were meant to be seen, and even map properties on the surface, including de, dnorm, shape index, and curvedness. Each color scheme provides visual insights into different aspects of the crystal packing, making it easier to discover what might have been difficult to find using traditional means.
Another critical feature of CrystalExplorer is the fingerprint plot, which offers a full-color, two-dimensional representation of all intermolecular interactions in a crystal structure. This unique feature provides a rapid and full understanding of the nature of intermolecular interactions in a crystal that can be reproduced on screen or paper.
With CrystalExplorer 2, users gain access to decomposed surfaces and fingerprints, enabling them to focus on particular types of intermolecular interactions. This feature makes it easy to see which parts of the molecule are involved in particular types of intermolecular interactions while performing quantitative comparisons between structures based on the contribution to the surface of a given interaction.
Users also have access to POV-Ray export, enabling them to produce high-resolution graphics with just one click for use in journals, posters, and other graphics-intensive projects. Finally, the open-source program Tonto, which drives CrystalExplorer's calculations, offers fully-featured quantum-mechanical capabilities with the ability to calculate properties such as electrostatic potentials and ab initio molecular electron densities. This feature makes it easy to map various properties onto the Hirshfeld surface, making CrystalExplorer an invaluable tool for researchers and academics across multiple fields.
What's New
Version 2.1: N/A