Info

io.amber.v22.parsers.info.PAT_NATOM = b'NATOM\\s*=\\s*\\d+' module-attribute

io.amber.v22.parsers.info.PAT_NRES = b'NRES\\s*=\\s*\\d+' module-attribute

io.amber.v22.parsers.info.PAT_WATER = b'Number of triangulated 3-point waters found:\\s*\\d+' module-attribute

io.amber.v22.parsers.info.AmberSystemInfoParser(engine=None)

Bases: StateParser[AmberV22State]

Parses the ‘SYSTEM INFO’ section (Amber v22) with a pluggable ScanEngine.

engine = engine or StdRegexEngine() instance-attribute

parse(data, state)