Re: [PyMOL] APBS and Pymol

Hi,

> parseInput
>      self.parseLines(file.readlines())
>    File "/usr/local/apbs-0.4.0/tools/manip/psize.py", line 116, in
> parseLines
>      self.q = self.q + float(words[3])
> ValueError: invalid literal for float(): 1.00119.63
>
>
> Any clues ?

It looks like it's reading from a pdb file when it's expecting a pqr file,
and that the split statement didn't produce the expected input due to the
B factor in the pdb file being too large.
Possibly you have to generate a pqr file before setting the grid (I'm not
farmilar enough with the apbs-pymol plugin to remember offhand).

Good luck,

Pete


Pete Meyer
Fu Lab
BMCB grad student
Cornell University