run.sasa: Run FreeSASA on a PDB structure

View source: R/calcStrucFeats.R

run.sasaR Documentation

Run FreeSASA on a PDB structure

Description

Calculates solvent accessible surface area on a given structure using the external software FreeSASA, which must be installed and available via $PATH.

Usage

run.sasa(pdb.file)

Arguments

pdb.file

The PDB file on which to run FreeSASA

Value

a data.frame with the output of FreeSASA

Examples

## Not run: 
sasa <- run.sasa("3UIP.pdb")

## End(Not run)

jweile/mavevis documentation built on Oct. 30, 2023, 7:16 a.m.