IntraDistance (Module)

Calculate a site-site distance histogram within molecules

Overview

The IntraDistance module calculates a distance histogram between two sites A and B over a defined distance range. The function is calculated only between sites existing on the same molecule.

Options

Targets

Keyword Arguments Default Description
Configuration Configuration

Required

Specifies the configuration on which to operate.

Control

Keyword Arguments Default Description

Sites

Keyword Arguments Default Description
SiteA Site ... Specify site(s) which represent ‘A’ in the interaction A-B.
SiteB Site ... Specify site(s) which represent ‘B’ in the interaction A-B.

Ranges

Keyword Arguments Default Description
DistanceRange double
double
double
0.0
10.0
0.05
Range (min, max, bin width) of A-B distance binning.

Export

Keyword Arguments Default Description
Export Data1DFileAndFormat File format and file name under which to save calculated A-B histogram data.