calc.strucfeats: Calculate structural features

In jweile/mavevis: Visualization for MaveDB

Calculate structural features

Description

Calculates structural features of a protein from a given PDB entry

Usage

calc.strucfeats(
  acc,
  main.chain,
  db = c("pdb", "alphafold"),
  offset = 0L,
  overrideCache = FALSE
)

Arguments

acc	The PDB or Uniprot accession to use, e.g. "3UIP"
main.chain	The chain identifier in the PDB file that corresponds to the protein of interest. Should be a single uppercase letter, e.g. "A".
db	either 'pdb' or 'alphafold'
offset	position offset for incorrectly annotated pdb files (integer)
overrideCache	if true, ignore cached files and query all data from scratch

Value

a data.frame detailing secondary structure, solvent accessibility, and burial in interfaces.

Examples

## Not run: 
sfeats <- calc.strucfeats("3UIP","A")

## End(Not run)

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