How to print a crystal structure model in 3D

Abstract

We present a simple procedure for the conversion of Crystallographic Information Files (CIFs) into Virtual Reality Modelling Language (VRML2, .wrl) files, which can be used as input files for three-dimensional (3D) printing. This procedure permits facile production of customized full-colour 3D models of X-ray crystal structures of segments of extended structures, including metal–organic frameworks (MOFs) as well as small molecules. The method uses freely available software that runs under Microsoft Windows, MacOSX and Linux operating systems.