Hello All, I'm trying to use BALBES locally to perform molecular replacement on data of a two protein complex.
Protein 1 is a truncated version of a two domain protein of known structure. Protein 2 has a homologous protein of known structure and ~50% identity. I'm having two related problems - 1> If I include the truncated PDB of Protein 1 as an input model, along with a .seq file containing the two sequences, I get the following error: #-----------------------------------------------------------# # Search for Structures with Similar Cell and Space Group # #-----------------------------------------------------------# No structure of similar cell and space group was found #-----------------------------------------------------------# # Model Database Analysis # #-----------------------------------------------------------# number of amino acids in the input sequence file is 615 1 structures found to be above 20% identity with the given sequence, of which the best identity is 100.0 Error message : no structure was found *------------------------------------------------------------------------------------* | All of search model PDB files are in: | | Subdirectory: template_models | *------------------------------------------------------------------------------------* BALBES exits after searching the internal database 2> If I repeat this, but use a .seq file that has the two sequences merged as one, I get this error: #-----------------------------------------------------------# # Search for Structures with Similar Cell and Space Group # #-----------------------------------------------------------# No structure of similar cell and space group was found #-----------------------------------------------------------# # Model Database Analysis # #-----------------------------------------------------------# number of amino acids in the input sequence file is 615 2 structures found to be above 20% identity with the given sequence, of which the best identity is 100.0 can not create a reader object for XML file for /Users/B/Test/xml/get_structure_DB_Protein1.xml Traceback (most recent call last): File "/apps/ccp4-6.1.0/bin/balbes", line 154, in <module> sfAnalysisIni.Sfcheck.info_strucFactor.get_b_overall()) File "/apps/BALBES_0.0.1/bin_py/exeCodeClasses.py", line 532, in execute self.SearchDB.controller() File "/apps/BALBES_0.0.1/bin_py/exeCodeClasses.py", line 1378, in controller self.structDB_info_analysis() File "/apps/BALBES_0.0.1/bin_py/exeCodeClasses.py", line 881, in structDB_info_analysis rootElement = StripXml(struct_xml_document.documentElement) UnboundLocalError: local variable 'struct_xml_document' referenced before assignment Ideas? Any help would be greatly appreciated -Jesse