CCDC




RPluto - Graphical Display of Molecular and Crystal Structures

RPluto is a tool for visualising molecular crystal structures, its features include:

  • A range of input file formats (CSD FDAT, SHELX and CIF formats)
  • Data typed in free-format style (i.e. from file or keyboard), which may be useful for comparing current work with examples from the CSD
  • Display of both molecular and packing diagrams
  • Intra- and intermolecular geometric analysis
  • Rendering of diagrams in wireframe or solid ball-and-stick style
  • Preparation of plots for reports and publications
  • Interactive method for exploration of intermolecular packing in detail, particularly H-bonded networks, and assignment of graph set notation automatically to many such patterns.
  • Full online documentation is also available

RPluto can be downloaded free of charge as pre-compiled executables, solely for non-commercial use as described in the Conditions of Use.

As a free service, CCDC may be unable to provide support for RPluto.

Hydrogen-bonded ring motif in...
o-aminobenzoic acid




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