Supported File Formats ====================== cml: Chemical Markup Language ----------------------------- :Extension: .cml .. autoclass:: chemlab.io.handlers.CmlIO :members: edr: GROMACS energy file ------------------------ :Extension: .edr .. autoclass:: chemlab.io.handlers.EdrIO :members: gro: GROMACS coordinate files ----------------------------- :Extension: .gro .. autoclass:: chemlab.io.handlers.GromacsIO :members: mol: MDL Coordinate files ------------------------- :Extension: .mol .. autoclass:: chemlab.io.handlers.MolIO :members: pdb: Protein Data Bank format ----------------------------- :Extension: .pdb .. autoclass:: chemlab.io.handlers.PdbIO :members: xtc: GROMACS compressed trajectory file --------------------------------------- :Extension: .xtc .. autoclass:: chemlab.io.handlers.XtcIO :members: xyz: XYZ coordinate format -------------------------- :Extension: .xyz .. autoclass:: chemlab.io.handlers.XyzIO :members: