GET /mol

Get molecule from ligand / pdb

GET /data

List all the molecules

GET /data/{subset}

List all the molecules of a database

GET /data/{subset}/{id}

Data from a single molecule

GET /data/{subset}/{id}/TRAJ

Trajectory analysis

GET /files/{subset}/{id}/TRAJ

Structure and coordinates files for trajectory

GET /files/{subset}/{id}/TRAJ/top

Structure file for trajectory

GET /files/{subset}/{id}/TRAJ/coords

Coordinates trajectory file

GET /data/{subset}/{id}/PCA

PCA analysis

GET /data/{subset}/{id}/PCA/{component}

PCA single conformation

GET /files/{subset}/{id}/PCA/coords/{conformation}

Coordinates for PCA conformation

GET /data/{subset}/{id}/MM

MM analysis

GET /data/{subset}/{id}/MM/{conformation}

MM single conformation

GET /files/{subset}/{id}/MM/coords

Coordinates file for MM

GET /files/{subset}/{id}/MM/coords/{conformation}

Coordinates for MM conformation

GET /files/{subset}/{id}/MM/mipcoords/{conformation}

MIP structure file for MM conformation

GET /files/{subset}/{id}/MM/mipneg/{conformation}

MIP negative file for MM conformation

GET /files/{subset}/{id}/MM/mipneu/{conformation}

MIP neutral file for MM conformation

GET /files/{subset}/{id}/MM/mippos/{conformation}

MIP positive file for MM conformation

GET /data/{subset}/{id}/QM

QM analysis

GET /data/{subset}/{id}/QM/{conformation}

QM single conformation

GET /files/{subset}/{id}/QM/coords

Coordinates file for QM

GET /files/{subset}/{id}/QM/coords/{conformation}

Coordinates for QM conformation

GET /files/{subset}/{id}/LIB/AMBER

AMBER parameters

GET /files/{subset}/{id}/LIB/CHARMM

CHARMM parameters

GET /files/{subset}/{id}/LIB/CNS

CNS parameters

GET /files/{subset}/{id}/LIB/GROMACS

GROMACS parameters

GET /files/{subset}/{id}/LIB/OPLS

OPLS parameters