On Fri, Oct 17, 2003 at 09:41:24AM -0700, Warren L. DeLano wrote: > > Truls A. Tangstad wrote: > > I'm very interested in using alot of the functionality that PyMol > > offers programmatically from Python, i.e. without using a GUI at > > all. The chempy package seems to cover alot of my needs, loading > > different file formats etc. even though it doesn't seem to be > > documented. > > > > Is it also possible to use the rest of the functionality in PyMol from > > other Python scripts? Right now, just importing the pymol package > > seems to force the GUI to open.
> If you've got PyMOL configured to open on > > import pymol > pymol.finish_launching() > > You can suppress the GUI feature and suppress startup output by > providing command line arguments as follows. Before importing PyMOL, > set a "pymol_argv" list in the __main__ namespace. PyMOL will interpret > this as a sys.argv styled list of command line arguments. > > import __main__ > __main__.pymol_argv['pymol','-qc'] > > import pymol > pymol.finish_launching() Thanks, seems to work like a charm in scripts after adding the assignment operator: __main__.pymol_argv = ['pymol', '-qc'] # adding miss Somehow it segfaults when trying the same thing in an interactive python interpreter though, right after importing pymol. This might be due to a shoddy install on my part, but I'm including a gdb backtrace: #0 0x41d7b21a in SettingGetGlobal_f () from /usr/lib/python2.3/site-packages/pymol/_cmd.so #1 0x41d7c683 in SettingGet () from /usr/lib/python2.3/site-packages/pymol/_cmd.so #2 0x41d6296d in OrthoAddOutput () from /usr/lib/python2.3/site-packages/pymol/_cmd.so #3 0x41d679a5 in PCatchInit () from /usr/lib/python2.3/site-packages/pymol/_cmd.so #4 0x4006d74d in PyCFunction_Call () from /usr/lib/libpython2.3.so.1.0 #5 0x40045e37 in PyObject_Call () from /usr/lib/libpython2.3.so.1.0 #6 0x400a2a4a in PyEval_CallObjectWithKeywords () from /usr/lib/libpython2.3.so.1.0 #7 0x40055550 in PyFile_WriteObject () from /usr/lib/libpython2.3.so.1.0 #8 0x400556e6 in PyFile_WriteString () from /usr/lib/libpython2.3.so.1.0 #9 0x400d56b6 in PySys_WriteStderr () from /usr/lib/libpython2.3.so.1.0 #10 0x400d4b2c in PySys_WriteStderr () from /usr/lib/libpython2.3.so.1.0 #11 0x400d2c74 in Py_AtExit () from /usr/lib/libpython2.3.so.1.0 #12 0x40101043 in _PyUnicode_TypeRecords () from /usr/lib/libpython2.3.so.1.0 Any idea why it shouldn't work interactively? I'm using PyMol 0.90 and Python 2.3.2 on Debian unstable. -- Truls - kerfue+pymol-us...@herocamp.org
