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