Supported atomic coordinates file formats
The current version of Atomes can import atomic coordinates in the following formats:
Total number of atoms
Number of chemical species
Label and number of each atomic species
the input order, label and number of each atomic species will be the one assumed when reading the coordinates from the trajectory file.
Atomes can also export atomic coordinates in XYZ or Chem3D format.
- M. S. Center, Xmol, p. http://www.hpc.unm.edu/ chem/xmol/xmol.html, 1993.
- CambridgeSoft, Chem3D, pp. Cambridge Scientific Computing, Cambridge Massachusetts, USA, 2009.
- "http://www.cpmd.org." .
- "http://cms.mpi.univie.ac.at/vasp." .
- S. Le Roux and V. Petkov, J. Appl. Cryst., vol. 43, pp. 181–185, 2010.