2009/12/6 qiancheng shen <[email protected]>: > Dear All, > Openbabel 2.2.3 GUI crashes without giving any info when I want to read > in a large pdb file (file size more than 2M). > When I want to read the pdb file by importing openbabel in Python: > #Code------------------------- > ------------------------------- > import openbabel as ob > obconv = ob.OBConversion() > obconv.SetInFormat("PDB") > mol = ob.OBMol() > obconv.ReadFile(mol,'test.pdb') > print mol > #--------------------------------------------------------------- > > The program just interrupted and a warning prompt "python.exe has stopped > running" appeared. > Could anyone help me?
Could you file a bug report? I think that the problem is that our aromaticity detector hits a recursion limit when dealing with large files. In other words, the only workaround is to reduce the size of your protein I'm afraid. > Best Regards. > ------------------------------------------------------------------------------ > Join us December 9, 2009 for the Red Hat Virtual Experience, > a free event focused on virtualization and cloud computing. > Attend in-depth sessions from your desk. Your couch. Anywhere. > http://p.sf.net/sfu/redhat-sfdev2dev > _______________________________________________ > OpenBabel-scripting mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-scripting > > ------------------------------------------------------------------------------ Join us December 9, 2009 for the Red Hat Virtual Experience, a free event focused on virtualization and cloud computing. Attend in-depth sessions from your desk. Your couch. Anywhere. http://p.sf.net/sfu/redhat-sfdev2dev _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
