newanalysis.voro.calcCN

newanalysis.voro.calcCN(ds, result, core_begin, core_end, surr_begin, surr_end, shell_begin, shell_end, ntot)

Calculates the coordination number between two selections and adds the found value to a histogram.

Parameters:
  • system (ntot .. total number of residues in the) –

  • histogram (result .. result) –

  • selection (surr_end .. last residue number of the surround) –

  • selection

  • selection

  • selection

  • consider (shell_end .. highest delaunay distance to) –

  • consider

  • system