getAtomicRecord {protein8k}R Documentation

getAtomicRecord

Description

Retrieve the Atomic Record from a Protein Object

Usage

getAtomicRecord(protein)

Arguments

protein

input for a a protein object

Format

Dataframe with 16 columns:

  1. record_type:Type of record in this section. Generally ATOM or HETATM

  2. serial_num: The serial number for the position of the atom in the sequence

  3. atom_name: A name to identify the atom in a structure

  4. alt_location_id:

  5. residue_name: 3 character identifier for a residue

  6. chain_id:

  7. residue_seq_num: Number representing where in the sequence a residue is.

  8. insert_residue_code:

  9. x_ortho_coord: X coordinate in Ångstroms on an orthogonal plane

  10. y_ortho_coord: Y coordinate in Ångstroms on an orthogonal plane

  11. z_ortho_coord: Z coordinate in Ångstroms on an orthogonal plane

  12. occupancy:

  13. temp_factor: The amount of overall error in the measurement of an atom.

  14. segment_id:

  15. element_symbol: Periodic symbol representing an atom.

  16. charge: Charge of the given atom. Can be +, -, or none at all

Details

This is an accessor function for retrieving the Atomic Record from a Protein object.

Value

Returns a dataframe containing the atomic record. There are 16 variables in this data frame.


[Package protein8k version 0.0.1 Index]