fetch_pdb_structure: Fetch PDB structure atom data from RCSB

Description Usage Arguments Value Examples

View source: R/fetch_pdb_structure.R

Description

Fetches atom data for a PDB structure from RCSB. If you want to retrieve metadata about PDB structures, use the function fetch_pdb(). The information retrieved is based on the .cif file of the structure, which may vary from the .pdb file.

Usage

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fetch_pdb_structure(pdb_ids, return_data_frame = FALSE, show_progress = TRUE)

Arguments

pdb_ids

a character vector of PDB identifiers.

return_data_frame

a logical value that indicates if a data frame instead of a list is returned. It is recommended to only use this if not many pdb structures are retrieved. Default is FALSE.

show_progress

a logical value that indicates if a progress bar will be shown. Default is TRUE.

Value

A list that contains atom data for each PDB structures provided. If return_data_frame is TRUE, a data frame with this information is returned instead. The data frame contains the following columns:

Examples

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pdb_structure <- fetch_pdb_structure(
  pdb_ids = c("6HG1", "1E9I", "6D3Q", "4JHW"),
  return_data_frame = TRUE
)

head(pdb_structure, n = 10)

protti documentation built on Sept. 17, 2021, 5:12 p.m.