4.7 Article

How to print a crystal structure model in 3D

期刊

CRYSTENGCOMM
卷 16, 期 25, 页码 5488-5493

出版社

ROYAL SOC CHEMISTRY
DOI: 10.1039/c4ce00371c

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资金

  1. National Science Foundation CAREER program [CHE-1151292, CHE-0844441]
  2. Welch Foundation
  3. American Chemical Society Petroleum Research Fund [DNI-50390]
  4. Research Corporation for Science Advancement.
  5. Direct For Mathematical & Physical Scien
  6. Division Of Chemistry [1151292] Funding Source: National Science Foundation
  7. Division Of Chemistry
  8. Direct For Mathematical & Physical Scien [0844441] Funding Source: National Science Foundation

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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.

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