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Programmatic conversion of crystal structures into 3D printable files using Jmol.

Journal of cheminformatics | 2016

Three-dimensional (3D) printed crystal structures are useful for chemistry teaching and research. Current manual methods of converting crystal structures into 3D printable files are time-consuming and tedious. To overcome this limitation, we developed a programmatic method that allows for facile conversion of thousands of crystal structures directly into 3D printable files.

Pubmed ID: 27933103 RIS Download

Research resources used in this publication

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This is a list of tools and resources that we have found mentioned in this publication.


ChemSpider (tool)

RRID:SCR_006360

Collection of chemical structures. Provides access to structures, properties and associated information from hundreds of data sources to find compounds of interest and provides services to improve this data by curation and annotation and to integrate it with users applications.

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Jmol (tool)

RRID:SCR_003796

An open-source Java viewer for chemical structures in 3D with features for chemicals, crystals, materials and biomolecules. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems and features an applet, application, and systems integration component.

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SMART (tool)

RRID:SCR_005026

Software tool for identification and annotation of genetically mobile domains and analysis of domain architectures.

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