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