Dear All, 

I read with interest Jason Ferrara's post concerning embedding PyMOL in a QT 
app (back in January
http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg08607.html ). 
I've spent a short time experimenting and have encountered a problem or two - I 
was wondering if any insightful users had any pointers for me. 

I've built pymol from the SourceForge source (1.4.1) on some Fedora linux x86 
box. I initially jumped straight into the QT code, but experienced a few 
crashes. Taking things apart further, I've got a little script that 
consistently crashes with a segfault:

        import sys
        sys.path.append( os.path.join( os.environ['PYMOL_PATH'], 'modules' ) )

        import pymol2
        pymol = pymol2.PyMOL()

        print 'pymol initialised'
        pymol.cmd.set("internal_gui",0)
        print 'we never see this'

$ python crash.py
> pymol initialised
> Segmentation fault (core dumped)

Should this ever work? The code is a snippet from Jason's approach. I 
appreciate that it doesn't do anything, but should I expect a crash? Getting 
personal with gdb the stack trace comes up with

0x00007fffed6830e6 in APIEnterBlocked (self=0xd3c148, args=<value optimized 
out>) at layer4/Cmd.c:160
160       PRINTFD(G, FB_API)

which seems relatively benign (there is a PyThread_get_thread_ident() call 
there).

Thanks for reading this far, 

Dan

Dan O'Donovan
SBGrid Consortium
Harvard Medical School




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