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Pairwise distances

Type Python Script
Download figshare
Author(s) Pietro Gatti-Lafranconi
License CC BY 4.0

Introduction

Given any two selections, this script calculates and returns the pairwise distances between all atoms that fall within a defined distance.

Can be used to measure distances within the same chain, between different chains or different objects.

Distances can be restricted to sidechain atoms only and the outputs either displayed on screen or printed on file.


Usage

pairwise_dist sel1, sel2, max_dist, [output=S/P/N, [sidechain=N/Y, [show=Y/N]]]


Required Arguments

  • sel1 = first selection
  • sel2 = second selection
  • max_dist = max distance in Angstroms


Optional Arguments

  • output = accepts Screen/Print/None (default N)
  • sidechain = limits (Y) results to sidechain atoms (default N)
  • show = shows (Y) individual ..→
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