Downloads

Molecular dynamics parameters, parsable data files, and programmatic access for all three datasets: ATLAS Chameleon DPF

Molecular dynamics parameters

ATLAS_parameters.zip
GROMACS molecular dynamics parameters (.mdp) and CHARMM36m force-field files used in all ATLAS simulations.
Download ZIP

Parsable files

Latest available version per dataset. See release history for older versions.

ATLAS v2 · Nov 2024

General protein information, MD metrics, and domain annotations.

General information TSV PDB ID list TXT
Chameleon v1 · Jun 2022

Proteins with sequence-identical regions adopting different structures in different contexts.

General information TSV PDB ID list TXT
DPF v1 · Jun 2022

Dual Personality Fragments — protein regions able to adopt multiple stable conformations.

General information TSV PDB ID list TXT

Release history

DatasetFileFormat
ATLAS 2024_11_18_ATLAS_info.tsv TSV
ATLAS 2024_11_18_ATLAS_pdb.txt TXT
Chameleon 2022_06_13_chameleon_info.tsv (unchanged) TSV
Chameleon 2022_06_13_chameleon_pdb.txt (unchanged) TXT
DPF 2022_06_13_DPF_info.tsv (unchanged) TSV
DPF 2022_06_13_DPF_pdb.txt (unchanged) TXT

DatasetFileFormat
ATLAS 2022_06_13_ATLAS_info.tsv TSV
ATLAS 2022_06_13_ATLAS_pdb.txt TXT
Chameleon 2022_06_13_chameleon_info.tsv TSV
Chameleon 2022_06_13_chameleon_pdb.txt TXT
DPF 2022_06_13_DPF_info.tsv TSV
DPF 2022_06_13_DPF_pdb.txt TXT

Programmatic access

Use the REST API to programmatically retrieve specific proteins, datasets, MD trajectories, and analysis results.

API documentation download_ATLAS.py

The Python download script uses aria2c to bulk-download the entire ATLAS dataset.

License
The ATLAS database is released under a Creative Commons Attribution-NonCommercial 4.0 International license (CC-BY-NC). This license allows users to share and adapt the dataset if they give credit to the copyright holder and do not use the dataset for any commercial purposes. Please contact us for commercial use.