<div dir="ltr">help is in progress off-list<div>Nick</div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div>Nicholas K. Sauter, Ph. D.<br>Senior Scientist, Molecular Biophysics & Integrated Bioimaging Division<div>Lawrence Berkeley National Laboratory<br>1 Cyclotron Rd., Bldg. 33R0345<br>Berkeley, CA 94720<br>(510) 486-5713<br></div></div></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Sat, Apr 28, 2018 at 1:24 AM, <a href="mailto:Graeme.Winter@Diamond.ac.uk">Graeme.Winter@Diamond.ac.uk</a> <span dir="ltr"><<a href="mailto:Graeme.Winter@diamond.ac.uk" target="_blank">Graeme.Winter@diamond.ac.uk</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Morning all,<br>
<br>
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?<br>
<br>
Many thanks Graeme<br>
<div><div class="h5"><br>
On 27 Apr 2018, at 18:14, Wall, Michael E <<a href="mailto:mewall@lanl.gov">mewall@lanl.gov</a><mailto:<a href="mailto:mewall@lanl.gov">mewall<wbr>@lanl.gov</a>>> wrote:<br>
<br>
Hi,<br>
<br>
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?<br>
<br>
Thanks, Mike<br>
<br>
Traceback (most recent call last):<br>
File "../../src/xenm_new.py", line 609, in <module><br>
ftmp.write(pdb_in.hierarchy.<wbr>as_pdb_string(crystal_<wbr>symmetry=pdb_in.input.crystal_<wbr>symmetry()))<br>
File "/home/mewall/packages/dials_<wbr>devel/modules/cctbx_project/<wbr>iotbx/pdb/__init__.py", line 1191, in crystal_symmetry<br>
self_symmetry = self.crystal_symmetry_from_<wbr>cryst1()<br>
File "/home/mewall/packages/dials_<wbr>devel/modules/cctbx_project/<wbr>iotbx/pdb/__init__.py", line 1168, in crystal_symmetry_from_cryst1<br>
return cryst1_interpretation.crystal_<wbr>symmetry(cryst1_record=line)<br>
File "/home/mewall/packages/dials_<wbr>devel/modules/cctbx_project/<wbr>iotbx/pdb/cryst1_<wbr>interpretation.py", line 138, in crystal_symmetry<br>
unit_cell=u)<br>
File "/home/mewall/packages/dials_<wbr>devel/modules/cctbx_project/<wbr>iotbx/pdb/cryst1_<wbr>interpretation.py", line 87, in space_group_info<br>
try: return sgtbx.space_group_info(self.<wbr>symbol)<br>
File "/home/mewall/packages/dials_<wbr>devel/modules/cctbx_project/<wbr>cctbx/sgtbx/__init__.py", line 97, in __init__<br>
symbols = space_group_symbols(symbol)<br>
Boost.Python.ArgumentError: Python argument types in<br>
space_group_symbols.__init__(<wbr>space_group_symbols, str)<br>
did not match C++ signature:<br>
__init__(_object*, int space_group_number)<br>
__init__(_object*, int space_group_number, std::__cxx11::basic_string<<wbr>char, std::char_traits<char>, std::allocator<char> > extension='')<br>
__init__(_object*, int space_group_number, std::__cxx11::basic_string<<wbr>char, std::char_traits<char>, std::allocator<char> > extension='', std::__cxx11::basic_string<<wbr>char, std::char_traits<char>, std::allocator<char> > table_id='')<br>
__init__(_object*, std::__cxx11::basic_string<<wbr>char, std::char_traits<char>, std::allocator<char> > symbol)<br>
<br>
__init__(_object*, std::__cxx11::basic_string<<wbr>char, std::char_traits<char>, std::allocator<char> > symbol, std::__cxx11::basic_string<<wbr>char, std::char_traits<char>, std::allocator<char> > table_id='')<br>
<br>
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