Hi Jed,
sorry for the late reply.
The plugin so far doesn't work properly on windows and mac (at least that's
what users report. I don't have a windows PyMOL to test it).
Could you send me your input files? I'd like to test it on linux to see if
there's a problem with the files or something else.
Btw, did anyone get it to run on windows or mac? If yes, it would be nice if
you drop me a mail with some info about your system (operating system, program
version, how is pymol installed).
Thanks,
Daniel
On Thursday 07 January 2010 04:49:11 pm Jed Goldstone wrote:
> I can't seem to get the autodock Pymol plugin to work correctly in
> Windows (XP). I think it's a bug somewhere.
> I'm using the latest version of autodock grid and dock, and MGL Tools
> 1.5.4 on Windows XP with Python25, and PyMol 1.2r1
>
> I've emailed the author, Daniel Seeliger, but haven't gotten a reply.
> Has any had experience with this?
>
> I'm getting at least 2 different errors:
> first, in setting up a receptor. When I click on the PyMOL Selection and
> "Generate Receptor" I get the following error:
>
> "Batch: C:\Program Files\MGLTools
> 1.5.4\MGLToolsPckgs\AutoDockTools\Utilities24\prepare_receptor4.py -r
> C:\Program Files\PyMOL\.ADplugin\receptor.dr1a.pdb -o
> receptor.dr1a.pdbqt -A checkhydrogens
> '{' is not recognized as an internal or external command,
> operable program or batch file."
>
> second, if I "Select as Flexible" in the Autodock plugin a PyMol
> selection, I get the following Pymol error in background function,
>
> Error: 1
> <type 'exceptions.KeyError'> Exception in Tk callback
> Function: <bound method Autodock.select_flexible_residues of
> <pmg_tk.startup.autodock.Autodock instance at 0x10941580>> (type: <type
> 'instancemethod'>)
> Args: ()
> Traceback (innermost last):
> File "C:\Program Files\PyMOL/modules\Pmw\Pmw_1_3\lib\PmwBase.py", line
> 1747, in __call__
> return apply(self.func, args)
> File "C:\Program Files\PyMOL/modules\pmg_tk\startup\autodock.py", line
> 1800, in select_flexible_residues
> receptor_object = self.receptor_dic[rec]
> <type 'exceptions.KeyError'>: ''
>
>
> Jed
>
--
Dr. Daniel Seeliger
Computational Biomolecular Dynamics Group
Max-Planck-Institute for Biophysical Chemistry
Tel. +49 (0) 551-201-2310
http://wwwuser.gwdg.de/~dseelig
------------------------------------------------------------------------------
This SF.Net email is sponsored by the Verizon Developer Community
Take advantage of Verizon's best-in-class app development support
A streamlined, 14 day to market process makes app distribution fast and easy
Join now and get one step closer to millions of Verizon customers
http://p.sf.net/sfu/verizon-dev2dev
_______________________________________________
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
