diff --git a/prody/dynamics/functions.py b/prody/dynamics/functions.py index 23346ab2b..81cdf5d8f 100644 --- a/prody/dynamics/functions.py +++ b/prody/dynamics/functions.py @@ -316,11 +316,13 @@ def parseModes(normalmodes, eigenvalues=None, nm_delimiter=None, def parseScipionModes(metadata_file, title=None, pdb=None, parseIndices=False): - """Returns :class:`.NMA` containing eigenvectors and eigenvalues - parsed from a ContinuousFlex FlexProtNMA Run directory. + """Returns :class:`.NMA` or :class:`.GNM` containing eigenvectors and eigenvalues + parsed from an NMA, GNM or PCA protocol path from ContinuousFlex or Scipion-EM-ProDy. - :arg run_path: path to the Run directory - :type run_path: str + :arg metadata_file: metadata sqlite file in Scipion protocol path + The location of this file is currently limited to the top level of the project path + and not to deep directories like the extra path. + :type metadata_file: str :arg title: title for :class:`.NMA` object :type title: str @@ -332,6 +334,9 @@ def parseScipionModes(metadata_file, title=None, pdb=None, parseIndices=False): default *False* :type parseIndices: bool """ + # Fill variables about how to find files based on the assumed location + # It may be a good idea to make this more general somehow, + # but it shouldn't be too hard to keep the sqlite in the right place. run_path = os.path.split(metadata_file)[0] top_dirs = os.path.split(run_path)[0][:-4] run_name = os.path.split(run_path)[-1]