dis_res: Distance Between Residues Across Frames

In BradyAJohnston/mdfret: Processing and Plotting of MD Data

Distance Between Residues Across Frames

Description

Uses functions from the Bio3d package to calculate distance of the calphas from two given residues, across all of the frames in a given .pdb object. Returns a dataframe with corresponding frames and distances.

Usage

dis_res(frames, res1, res2, string = "calpha", ncore = 6)

Arguments

string	Selection string passed to atom.select(string = string)
ncore	Conducts calculations in parallel if package parallel is installed.
pdb	The pdb to be analysed.
r1	The first residue.
r2	The second residue.

Examples

dis_Res(some_pdb, 91, 371)

BradyAJohnston/mdfret documentation built on April 16, 2022, 8:32 a.m.