having issues with pdbqt files
attempted loading pdbqt files - problems with some, possibly ones that only have one atom.
Starting /Users/caralwin/Documents/durrant/cadd_tools/cadd_tools/liggrep/example_screen/docked_ligand_2.pdbqt
Traceback (most recent call last):
File "liggrep.py", line 62, in <module>
ligand = scoria.Molecule(fileName)
File "/Library/Python/2.7/site-packages/scoria/Molecule.py", line 53, in __init__
self.load_pdbqt_trajectory_into(file)
File "/Library/Python/2.7/site-packages/scoria/Molecule.py", line 953, in load_pdbqt_trajectory_into
resseq_reindex)
File "/Library/Python/2.7/site-packages/scoria/FileIO.py", line 139, in load_pdbqt_trajectory_into
is_trajectory = True
File "/Library/Python/2.7/site-packages/scoria/FileIO.py", line 203, in load_pdbqt_into
is_trajectory = is_trajectory
File "/Library/Python/2.7/site-packages/scoria/FileIO.py", line 237, in load_pdbqt_into_using_file_object
is_trajectory = is_trajectory)
File "/Library/Python/2.7/site-packages/scoria/FileIO.py", line 445, in load_pdb_into_using_file_object
resseq_reindex = False
File "/Library/Python/2.7/site-packages/scoria/FileIO.py", line 368, in load_pdb_trajectory_into_using_file_object
resseq_reindex, is_trajectory = False
File "/Library/Python/2.7/site-packages/scoria/FileIO.py", line 567, in load_pdb_into_using_file_object
data = numpy.defchararray_strip(atom_inf[f + '_padded'])
File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/numpy/lib/recfunctions.py", line 633, in append_fields
base = merge_arrays(base, usemask=usemask, fill_value=fill_value)
File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/numpy/lib/recfunctions.py", line 389, in merge_arrays
seqarrays = seqarrays.ravel()
File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/numpy/ma/core.py", line 4013, in ravel
r = ndarray.ravel(self._data).view(type(self))
TypeError: descriptor 'ravel' requires a 'numpy.ndarray' object but received a 'numpy.void'