Trajectory Importers

Updated: July 03, 2024


Latest versions

1.5.0 for SAMSON 2022 R2

1.5.0 for SAMSON 2022 R2

1.5.0 for SAMSON 2022 R2

Included with all plans

Trajectory Importers

Updated: July 03, 2024


Latest versions

1.5.0 for SAMSON 2022 R2

1.5.0 for SAMSON 2022 R2

1.5.0 for SAMSON 2022 R2

Import and export molecular dynamics trajectories in various formats.

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

This extension also makes it possible to export trajectories from SAMSON into various formats, including GROMACS, DCD, NetCDF.

Supported formats for importing

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.

Supported formats for exporting

GROMACS trajectory formats: XTC, TRR.

DCD trajectory format.

NetCDF trajectory format (NC).

Other formats for molecular structures: SDF, SMI.

Appendix

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

More molecular file formats are supported in SAMSON via other extensions provided by default, including PDB, mmCIF, MMTF, SDF, MOL2, GRO, etc. See more supported formats in SAMSON.

Trajectory Importers is an extension for SAMSON,
the integrative 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.