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autodock_plugin not working for python 3 / pymol 3 #156

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camattelaer opened this issue Feb 26, 2025 · 2 comments
Open

autodock_plugin not working for python 3 / pymol 3 #156

camattelaer opened this issue Feb 26, 2025 · 2 comments

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

Kind regards
Pedro

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@pslacerda @camattelaer