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RDF Analysis (version @VERSION@)
Minimum value of r to calculate RDF for
Maximum value of r to calculate RDF for

What it does

The Radial Distribution Function (RDF), g(r), also called pair distribution function or pair correlation function, can be used to find how density varies as a function of distance from a reference atom.


Input

  • Trajectory file (DCD).
  • PDB file.
  • Segment IDs, residue IDs and names of two atoms to calculate RDF values.

Note that a MDAnalysis 'segment' is a larger organizational unit, for example one protein or all the solvent molecules or simply the whole system.

Other parameters can also be specified: the number of bins in the RDF histogram, and the start and end points for the calculation (i.e. the values of r between which RDF will be calculated).

Output

  • Tab-separated file of raw data of the RDF.
  • Image (as png) of the RDF plot.