Published July 5, 2017 | Version v1
Software Open

Difference_plots - a script to calculate differences in atom-by-atom contributions to SAXS scattering

  • 1. University of Southampton

Description

Script to create and calculate SAXS scattering intensities due to individual atom-atom scatters. Can then create a difference matrix of atom-atom contributions to intensity at a given Q-value, for given reference & test conformations.

Requirements: MDAnalysis, numpy, matplotlib, argparse, netcdf4-python for netcdf support (dependency of MDanalysis)

Usage: Difference_plots.py -h [for help]

Files

Files (14.9 kB)

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