swamp.parsers.shelxeparser module¶

class ShelxeParser(fname, stdout, logger=None)[source]¶

Shelxe output parser

Parameters:	fname (str) – the file name to be parsed (default None) stdout (str) – the stdout to be parsed (default None) logger (SwampLogger) – logging interface for the parser (default None)
Variables:	cc_eobs_ecalc (str) – the correlation coeff. between Eobs and Ecalc cc (str) – correlation coeff. obtained with the best tracing cycle acl (str) – average chain length obtained with the best tracing cycle average_cc_delta (str) – the average delta of correlation coeff. between tracing cycles solution (str) – ‘YES’ if correlation coeff > 25 otherwise ‘NO’
Example:

>>> from swamp.parsers import ShelxeParser
>>> my_parser = ShelxeParser('<fname>', '<logcontents>')
>>> my_parser.parse()