autodock_plugin not working for python 3 / pymol 3

[camattelaer]

Hi

I am using pymol 3.0.0 and just installed the autodock_plugin

When i try to start it, it returns the following error:

Traceback (most recent call last):
  File "/home/camattelaer/Programs/miniconda3/envs/pymol/lib/python3.12/site-packages/pmg_tk/startup/autodock_plugin.py", line 109, in <lambda>
    command=lambda s=self: Autodock(s))
                           ^^^^^^^^^^^
  File "/home/camattelaer/Programs/miniconda3/envs/pymol/lib/python3.12/site-packages/pmg_tk/startup/autodock_plugin.py", line 592, in __init__
    self.notebook = Pmw.NoteBook(self.dialog.interior())
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/camattelaer/Programs/miniconda3/envs/pymol/lib/python3.12/site-packages/Pmw/Pmw_2_0_1/lib/PmwNoteBook.py", line 60, in __init__
    Pmw.Color.bordercolors(self, self['hull_background'])
  File "/home/camattelaer/Programs/miniconda3/envs/pymol/lib/python3.12/site-packages/Pmw/Pmw_2_0_1/lib/PmwColor.py", line 359, in bordercolors
    '#%04x%04x%04x' % (lightRGB[0], lightRGB[1], lightRGB[2]),
    ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TypeError: %x format: an integer is required, not float

Kind regards

Charles-Alexandre

[pslacerda]

This problem you're facing seems related to #136. Can you change the lightRGB[0] to int(lightRGB[0]) and so on?

You may also want to check the following script: https://tiny.cc/XDrugPy. It contains a module for docking with AutoDock Vina. It doesn't supersedes the plugin you're trying to use because only works with Vina.

[pslacerda]

@camattelaer, if the plugin works as expected after the changes, we can manage it into this repository.

Kind regards
Pedro

[luowuyao]

@pslacerda Hello, I encountered the same problem and tried your suggestion. But I'm using python3.9, not python3.12.
The source field of Pmwcolor.py is:
return (
'#%04x%04x%04x' % (lightRGB[0], lightRGB[1], lightRGB[2]),
'#%04x%04x%04x' % (darkRGB[0], darkRGB[1], darkRGB[2])
)
I modified it to:
return (
'#%04x%04x%04x' % (int(lightRGB[0]), int(lightRGB[1]), int(lightRGB[2])),
'#%04x%04x%04x' % (int(darkRGB[0]), int(darkRGB[1]), int(darkRGB[2]))
)
What intrigued me was that this modification seemed to be targeted at the PyMOL software rather than the autodock_plugin.py plugin.
After the modifications were completed, the plugin opened normally.
autodock_plugin seems not to have been updated for about two years. I am interested in which object the error is associated with, pymol or plugin. But thank you for your contribution.