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

Tkachenko, Valery

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

Version 6 2016-10-24, 01:11

Version 5 2016-10-24, 01:09

Version 4 2016-10-24, 01:00

Version 3 2016-10-12, 21:32

Version 2 2016-08-09, 20:19

Version 1 2016-08-08, 22:02

Posted on 2016-10-24 - 01:11 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 Using Jmol, 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.

A searchable website for this collection is available here:

https://chemapps.stolaf.edu/jmol/3dprint/

The Jmol 3D print website allows creation of STL and VRML files for 3D printing for any structure in the Crystallography Open Database. You can search either the full COD and then design your own model for 3D printing, or search the more than 30,000 predefined sample files from this figshare collection and download the STL or WRL files that have already been created for those structures.

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Scalfani, Vincent F.; Williams, Antony; Tkachenko, Valery (2016). Datasets for Programmatic Conversion of Crystal Structures into 3D Printable Files Using Jmol. figshare. Collection. https://doi.org/10.6084/m9.figshare.c.3302859.v6

https://doi.org/10.6084/m9.figshare.c.3302859.v6

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