Morning all,
Mike came to the DIALS list with some pdb-reading related issues - however in DIALS land we usually don’t mess with this kind of stuff - is there someone who can help him out here please?
Many thanks Graeme
On 27 Apr 2018, at 18:14, Wall, Michael E mailto:[email protected]> wrote:
Hi,
I'm seeing the following issue with a fresh build of dials development source, downloaded within the last hour. There's no error using dials v1-9-1. Is this a bug? Something that's being revised right now?
Thanks, Mike
Traceback (most recent call last):
File "../../src/xenm_new.py", line 609, in <module>
ftmp.write(pdb_in.hierarchy.as_pdb_string(crystal_symmetry=pdb_in.input.crystal_symmetry()))
File "/home/mewall/packages/dials_devel/modules/cctbx_project/iotbx/pdb/__init__.py", line 1191, in crystal_symmetry
self_symmetry = self.crystal_symmetry_from_cryst1()
File "/home/mewall/packages/dials_devel/modules/cctbx_project/iotbx/pdb/__init__.py", line 1168, in crystal_symmetry_from_cryst1
return cryst1_interpretation.crystal_symmetry(cryst1_record=line)
File "/home/mewall/packages/dials_devel/modules/cctbx_project/iotbx/pdb/cryst1_interpretation.py", line 138, in crystal_symmetry
unit_cell=u)
File "/home/mewall/packages/dials_devel/modules/cctbx_project/iotbx/pdb/cryst1_interpretation.py", line 87, in space_group_info
try: return sgtbx.space_group_info(self.symbol)
File "/home/mewall/packages/dials_devel/modules/cctbx_project/cctbx/sgtbx/__init__.py", line 97, in __init__
symbols = space_group_symbols(symbol)
Boost.Python.ArgumentError: Python argument types in
space_group_symbols.__init__(space_group_symbols, str)
did not match C++ signature:
__init__(_object*, int space_group_number)
__init__(_object*, int space_group_number, std::__cxx11::basic_string extension='')
__init__(_object*, int space_group_number, std::__cxx11::basic_string extension='', std::__cxx11::basic_string table_id='')
__init__(_object*, std::__cxx11::basic_string symbol)
__init__(_object*, std::__cxx11::basic_string symbol, std::__cxx11::basic_string table_id='')
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