[phenixbb] Custom restraints editor

Nathaniel Echols nechols at lbl.gov
Sat Sep 15 08:24:31 PDT 2012


Hmm, not sure what is going wrong here, but I'll check the code.
Could you please send me a screenshot of the editor just before you
click the button that triggers this error?

thanks,
Nat

On Sat, Sep 15, 2012 at 5:47 AM, Kristof Van Hecke
<kristofrg.vanhecke at gmail.com> wrote:
> Dear,
>
> When I try to define additional 'planarity' restraints via the 'Custom
> restraints editor', I get the following error (see below):
> (I'm using the Phenix nightly build dev-1148 on a Mac Book Pro, OS X 10.5.8,
> but had the same problem with the official release version 1.8)
> I also tried to add these additional restraints to my restraints .cif file,
> but then rmsd values increase to unreasonably high values.
> (I just want to keep 2 chlorine atoms on a phenyl ring better in the same
> plane)
>
> Any ideas please..?
>
> Thank you very much
>
> Kristof Van Hecke
>
>
> ---------------------
> untimeError : Syntax error: missing closing quote (python_object, line 1)
>
> Traceback (most recent call last):
>   File
> "/Applications/phenix-dev-1148/phenix/wxGUI2/Programs/Refine/Dialogs.py",
> line 296, in OnUpdate
>     new_phil = self.GetPhilObject()
>   File
> "/Applications/phenix-dev-1148/cctbx_project/wxtbx/custom_restraints.py",
> line 646, in GetPhilObject
>     new_phil = self._index.master_phil.format(python_object=self._params)
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/__init__.py", line
> 1714, in format
>     result.append(object.format(sub_python_object))
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/__init__.py", line
> 1714, in format
>     result.append(object.format(sub_python_object))
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/__init__.py", line
> 1714, in format
>     result.append(object.format(sub_python_object))
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/__init__.py", line
> 1727, in format
>     result.append(object.format(sub_python_object_i))
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/__init__.py", line
> 1727, in format
>     result.append(object.format(sub_python_object_i))
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/__init__.py", line
> 1094, in format
>     words = type_as_words(python_object=python_object, master=self)
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/__init__.py", line
> 151, in as_words
>     source_info="python_object")
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/__init__.py", line
> 60, in tokenize_value_literal
>     tokenizer.settings(contiguous_word_characters="")]))
>   File
> "/Applications/phenix-dev-1148/cctbx_project/libtbx/phil/tokenizer.py", line
> 249, in next
>     where_str(O.source_info, char_iter.line_number)))
> RuntimeError: Syntax error: missing closing quote (python_object, line 1)
>
>
>
> Platform info:
> __FILE__ =
> /net/patchnose/scratch1/phenix/phenix-dev-1148/cctbx_project/boost_adaptbx/meta_ext.cpp
> __DATE__ = Sep  3 2012
> __TIME__ = 06:05:56
> __i386__
> __APPLE_CC__ = 5367
> __GNUC__ = 4
> __GNUC_MINOR__ = 0
> __GNUC_PATCHLEVEL__ = 1
> boost::python::cxxabi_cxa_demangle_is_broken(): false
> __GXX_WEAK__ = 1
> __VERSION__ = 4.0.1 (Apple Computer, Inc. build 5367)
> FE_INEXACT = 32
> FE_DIVBYZERO = 4
> FE_UNDERFLOW = 16
> FE_OVERFLOW = 8
> FE_INVALID = 1
> FE_ALL_EXCEPT = 61
> __SSE2__ = 1
> BOOST_LIB_VERSION = 1_51
> PY_VERSION = 2.7.3
> PYTHON_API_VERSION = 1013
> sizeof(bool) = 1
> sizeof(short) = 2
> sizeof(int) = 4
> sizeof(long) = 4
> sizeof(std::size_t) = 4
> sizeof(void*) = 4
> sizeof(long long) = 8
> sizeof(float) = 4
> sizeof(double) = 8
> sizeof(long double) = 16
> sizeof(boost::int32_t) = 4
> sizeof(boost::uint32_t) = 4
> sizeof(wchar_t) = 4
> __PTRDIFF_TYPE__
> Py_USING_UNICODE
> sizeof(PY_UNICODE_TYPE) = 2
> BOOST_ADAPTBX_TYPE_ID_SIZE_T_EQ_UNSIGNED_LONG
> boost/TAG: 79991
> os.name: posix
> sys.platform: darwin
> sys.byteorder: little
> platform.platform(): Darwin-9.8.0-i386-32bit
> platform.architecture(): ('32bit', '')
> floating_point_exceptions.division_by_zero_trapped: False
> floating_point_exceptions.invalid_trapped: False
> floating_point_exceptions.overflow_trapped: False
> number of processors: 2
> Memory total:  4,294,967,296
> Memory free:         unknown
> import thread: OK
> "hello" = ['h', 'e', 'l', 'l', 'o']
> u"hello" = ['h', '\x00', 'e', '\x00', 'l', '\x00', 'l', '\x00', 'o', '\x00']
> u"\u00C5" = ['\xc5', '\x00'] as utf-8 = ['\xc3', '\x85']
> LATIN CAPITAL LETTER A WITH RING ABOVE = √Ö
>
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