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parse-pdb
Advanced tools
Readme
A simple utility for parsing PDB files into an easily useable JSON format that handles atoms ,residues, and chains.
npm install --save parse-pdb
const parsePdb = require('parse-pdb');
const { readFileSync } = require('fs');
const pdbString = readFileSync('./3aid.pdb', 'utf8');
const parsed = parsePdb(pdbString);
console.log(parsed.atoms);
/*
[ { serial: 1,
name: 'N',
altLoc: '',
resName: 'PRO',
chainID: 'A',
resSeq: 1,
iCode: '',
x: -2.555,
y: 9.253,
z: 34.411,
occupancy: 1,
tempFactor: 30.6,
element: 'N',
charge: '' },
...1845 others
]
*/
The output json is an object containing arrays of each structure keyed on record name, according to the pdb spec.
atoms:
serial: integer
name: string
altLoc: string
resName: string
chainID: string
resSeq: integer
iCode: string
x: float
y: float
z: float
occupancy: float
tempFactor: float
element: string
charge: string
seqRes:
serNum: integer
chainID: string
numRes: integer
resNames: array of strings
residues:
id: integer (count)
serNum: integer
chainID: string
resName: string
atoms: array of atoms
chains: Map
key: chainID
value:
id: integer (count)
chainID: string
residues: array of residues
MIT. See LICENSE file.
FAQs
A parser for the Protein Data Bank (PDB) molecule format
The npm package parse-pdb receives a total of 110 weekly downloads. As such, parse-pdb popularity was classified as not popular.
We found that parse-pdb demonstrated a not healthy version release cadence and project activity because the last version was released a year ago. It has 1 open source maintainer collaborating on the project.
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