Supported File Formats

LOOS reads the native file formats for most major biomolecular simulation packages.

Structure Files

Package	File Suffix	Notes
Amber	prmtop
CHARMM/NAMD	pdb
CHARMM/NAMD	psf
CHARMM	crd
Gromacs	gro
Tinker	xyz

Trajectory Files

Package	File Suffix	Notes
Amber	nc, netcdf	velocities
Amber	crd, mdcrd	velocities (if NetCDF)
Amber	inpcrd, rst, rst7
CHARMM/NAMD	dcd
CHARMM/NAMD	pdb	concatenated PDBs or sets of PDBs
Gromacs	xtc
Gromacs	trr	velocities, pressure, virial, forces (Only velocities available with Trajectory Class)
Tinker	arc

LOOS can write structures out in PDB format or a native pseudo-xml format, and can write trajectories in either DCD or XTC format.