RPluto is a X-windows tool for visualising molecular crystal structures on UNIX platforms. RPluto accepts data in CSD FDAT, SHELX and cif formats, or data typed in a simple free-format style, which may be useful in comparing current work with examples from the CSD. It can operate both at the individual molecule and packing diagram level, and enables intra- and intermolecular geometric analysis to be performed. Diagrams may be rendered in stick
or solid ball-and-spoke
style, and selected plots may be prepared in postscript format for hardcopy generation. RPluto also provides an interactive method for exploration of intermolecular packing in detail, particularly H-bonded networks,
and can assign graph set notation automatically
to many such patterns.
RPluto is available free of charge as pre-compiled executables for a number of common UNIX platforms, solely for non-commercial use as described in the full conditions of use . Full on-line documentation is available here. For further information, email rpluto@ccdc.cam.ac.uk.