Trajectory Importers

OneAngstrom

Updated: November 30, 2022


Latest versions

1.3.0 for SAMSON 2022 R2

1.3.0 for SAMSON 2022 R2

1.3.0 for SAMSON 2022 R2

Included with all plans

Trajectory Importers

OneAngstrom

Updated: November 30, 2022


Latest versions

1.3.0 for SAMSON 2022 R2

1.3.0 for SAMSON 2022 R2

1.3.0 for SAMSON 2022 R2

Import molecular dynamics trajectories from multiple sources.

A wide range of formats is supported to import trajectories generated by Amber, GROMACS, CHARMM, NAMD, LAMMPS, and Tinker.

Supported formats

GROMACS Trajectories: XTC, TNG, TRR, TRJ.

DCD trajectories (DCD) and PSF structure files.

NetCDF trajectories (NC, NCDF, NCTRAJ) and data structure files (prmtop, parm7).

LAMMPS trajectories (LAMMPSTRJ) and data files (LMP).

Other formats for molecular structures: ARC (Tinker), CSSR, Molden.

See more supported formats in SAMSON.

For most of the formats, this extension uses the chemfiles library.

Trajectory Importers is an extension for SAMSON,
the integrated platform for molecular design.

To use Trajectory Importers:

1. Create your free account and choose a molecular design plan
2. Download and install SAMSON on your computer


When you restart SAMSON, the extension will be automatically installed
and will be usable directly from within SAMSON.