Molecular Structure Tracer

High-quality display of molecular structures.

Launch Tool

This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.

Archive Version 1.5
Published on 27 Mar 2009 All versions

doi:10.4231/D30G3GX7C cite this

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Tools

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Abstract

This tool allows the graphical representations of discrete objects (Molecules) whose geometry is given by the 3D-Cartesian coordinates of their parts (Atoms). The connection between atoms (chemical bonds) are empirically inferred from the standard (Cambridge Crystallographic Structure Database) atomic radii.

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gfortran - GNU fortran. http://gcc.gnu.org/fortran/ Rappture- Rapid application Infrastructure. https://developer.nanohub.org/projects/rappture/ POVRAY - Persistence of Vision Raytracer. http://www.povray.org/ OpenSSL - Source Sockets Layer. http://www.openssl.org/

Cite this work

Researchers should cite this work as follows:

  • Baudilio Tejerina (2014), "Molecular Structure Tracer," http://nanohub.org/resources/MolST. (DOI: 10.4231/D30G3GX7C).

    BibTex | EndNote

Tags

  1. education
  2. education/outreach
  3. graphics
  4. nanoelectronics
  5. nanomaterials
  6. NCN@Northwestern Supported
  7. NCN Supported
  8. visualization