sqm/out format
Class: SQMOutFormat
Conversions
Convert from this format to System
- dpdata.System(fname, fmt: Literal['sqm/out'] = None) dpdata.system.System
- dpdata.System.from_sqm_out(fname) dpdata.system.System
Read from ambertools sqm.out.
- Returns:
- System
converted system
Convert from this format to LabeledSystem
- dpdata.LabeledSystem(fname, fmt: Literal['sqm/out'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_sqm_out(fname) dpdata.system.LabeledSystem
Read from ambertools sqm.out.
- Returns:
- LabeledSystem
converted system