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
