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Datasets for Programmatic Conversion of Crystal Structures into 3D Printable Files

Posted on 2016-08-09 - 20:19 authored by Vincent F. Scalfani
3D Printable Crystal Structure Datasets for: 

Vincent F. Scalfani, Antony J. Williams, Valery Tkachenko, Ken Karapetyan, Alexey Pshenichnov, Robert M. Hanson, Jahred M. Liddie and Jason E. Bara, Programmatic Conversion of Crystal Structures into 3D Printable Files, to be submitted to the Journal of Cheminformatics


Dedicated to the memory of Prof. Jean-Claude Bradley. We celebrate the future of open science and open data.


Crystal structures originated from a subset of the Crystallography Open Database. We used Jmol to convert 31,239 .cif files into 3D printable files. There are 31,239 WRL2 color 3D printable files and 11,732 STL 3D printable files. FIles are named with corresponding Crystallography Open Database ID. 

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