getAtomicRecord: getAtomicRecord

In protein8k: Perform Analysis and Create Visualizations of Proteins

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.

protein8k documentation built on Aug. 16, 2021, 9:06 a.m.