Hi,
That sounds like APBS's psize.py is having trouble with your input data ..
you could try going to the "APBS Location" tab and deleting the path to
psize.py .. then it'll use my code instead.
For some reason, it's reading "1.00103.81" where it expects a floating
point number .. it's possible that there's trouble with your PDB file.
-michael
--
This isn't a democracy;| _ |Michael Lerner
it's a cheer-ocracy. | ASCII ribbon campaign ( ) | Michigan
-Torrence, Bring It On| - against HTML email X | Biophysics
| / \ | mler...@umich
On Fri, 16 Jul 2004, Michele Fuortes wrote:
> Hi,
>
> I compiled APBS successfully.
> Now when I try the plugin and click on Set Grid I get:
>
> ---
> Error: 1
> ValueError Exception in Tk callback
> Function: <function <lambda> at 0x81205f0> (type: <type 'function'>)
> Args: ()
> Traceback (innermost last):
> File
> "/Users/delwarl/pymol/products/PyMOLX11Hybrid.app/py23/lib/python2.3/Pmw/Pmw_1_2/lib/PmwBase.py",
> line 1747, in __call__
> None
> File
> "/Users/delwarl/pymol/products/PyMOLX11Hybrid.app/py23/lib/python2.3/Pmw/Pmw_1_2/lib/PmwDialog.py",
> line 153, in <lambda>
> None
> File
> "/Users/delwarl/pymol/products/PyMOLX11Hybrid.app/py23/lib/python2.3/Pmw/Pmw_1_2/lib/PmwDialog.py",
> line 132, in _doCommand
> None
> File
> "/Volumes/Prugna/Science/PyMOL/PyMOLX11Hybrid.app/pymol/modules/pmg_tk/startup/apbs_tools.py",
> line 1046, in execute
> self.runPsize()
> File
> "/Volumes/Prugna/Science/PyMOL/PyMOLX11Hybrid.app/pymol/modules/pmg_tk/startup/apbs_tools.py",
> line 1087, in runPsize
> size.runPsize(pdb_filename)
> File "/Volumes/Hofdi/Unix/Software/apbs-0.3.1/tools/manip/psize.py", line
> 257, in runPsize
> self.parseInput(filename)
> File "/Volumes/Hofdi/Unix/Software/apbs-0.3.1/tools/manip/psize.py", line
> 106, in parseInput
> self.q = self.q + float(words[3])
> ValueError: invalid literal for float(): 1.00103.81
> ---
>
>
> any help?
>
> Thanks
>
> Michele
>
>
>
> --
>
>
> --
> Michele Fuortes, M.D., Ph.D.
> Assistant Professor
> Department of Surgery
> Department of Cell and Developmental Biology
> Cornell University - Weill Medical College
> E-mail: mfuor...@med.cornell.edu
>
>
>
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