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This issue will be left open for all PDBs that have strange errors...
ID: 5nc5 Problem: Biopython loading of mmcif file fails, says duplicated atom name
The text was updated successfully, but these errors were encountered:
from Bio.PDB import * parser = MMCIFParser() structure = parser.get_structure('test','4C13.cif') --------------------------------------------------------------------------- IndexError Traceback (most recent call last) <ipython-input-162-a4d420356111> in <module>() 1 from Bio.PDB import * 2 parser = MMCIFParser() ----> 3 structure = parser.get_structure('test','4C13.cif') /usr/local/lib/python2.7/dist-packages/Bio/PDB/MMCIFParser.pyc in get_structure(self, structure_id, filename) 62 warnings.filterwarnings("ignore", category=PDBConstructionWarning) 63 self._mmcif_dict = MMCIF2Dict(filename) ---> 64 self._build_structure(structure_id) 65 66 return self._structure_builder.get_structure() /usr/local/lib/python2.7/dist-packages/Bio/PDB/MMCIFParser.pyc in _build_structure(self, structure_id) 184 element = element_list[i] if element_list else None 185 structure_builder.init_atom(name, coord, tempfactor, occupancy, altloc, --> 186 name, element=element) 187 if aniso_flag == 1: 188 u = (aniso_u11[i], aniso_u12[i], aniso_u13[i], /usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.pyc in init_atom(self, name, coord, b_factor, occupancy, altloc, fullname, serial_number, element) 202 PDBConstructionWarning) 203 self.atom = Atom(name, coord, b_factor, occupancy, altloc, --> 204 fullname, serial_number, element) 205 if altloc != " ": 206 # The atom is disordered /usr/local/lib/python2.7/dist-packages/Bio/PDB/Atom.pyc in __init__(self, name, coord, bfactor, occupancy, altloc, fullname, serial_number, element) 68 self.xtra = {} 69 assert not element or element == element.upper(), element ---> 70 self.element = self._assign_element(element) 71 self.mass = self._assign_atom_mass() 72 /usr/local/lib/python2.7/dist-packages/Bio/PDB/Atom.pyc in _assign_element(self, element) 84 # Hs may have digit in [0] 85 if self.name[0].isdigit(): ---> 86 putative_element = self.name[1] 87 else: 88 putative_element = self.name[0] IndexError: string index out of range
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This issue will be left open for all PDBs that have strange errors...
ID: 5nc5
Problem: Biopython loading of mmcif file fails, says duplicated atom name
The text was updated successfully, but these errors were encountered: