File format supported

[mathieulinares]

Supported file formats for topologies:

• gro - Gromacs (ASCII, any precision)
• pdb - Protein Databank (ASCII, reduced precision)
• cif - PDBx/mmcif (ASCII) [Not thoroughly tested]
• xyz/arc/xmol - XYZ formats in variations (ASCII)
• LAMMPS data file

The currently supported file formats for trajectories:
• xtc - Gromacs (binary, compressed, full precision)
• trr - Gromacs (binary, full precision)
• pdb - Protein Databank, frame encoded via MODEL/TER (ASCII, re-
duced precision)
• xyz/arc/xmol - XYZ formats in variations (ASCII, any precision)
• LAMMPS ASCII trajectory

Supported file formats for script import:

• edr - Gromacs Energy (binary)
• xvg - Grace Tabular (ASCII)
• csv - Comma Separated Values (ASCII)

Supported file formats for script export:

• xvg - Grace Tabular (ASCII)
• csv - Comma Separated Values (ASCII)
• cube - Cube file, volume + structure (ASCII)

The supported file formats have been focused on Gromacs and its ecosystem. In the future, we aim to add support for NAMD,
CHARMM, and AMBER.

[swjackson286]

Any chance .dcd will be added? Is there any way I can load my .dcd trajectory file?

[mathieulinares]

Hi.
We are thinking about adding dcd support in the future but do not have it scheduled yet.
In the meantime mdtraj is perfect to convert your trajectory to xtc.

[swjackson286]

Thanks. And sorry--just now seeing the part above about adding support for NAMD later. Thanks again!