Hi,
I thank you all for your answers and all the help provided. I will try to
solve the problem with all the info I got and let you know the results.
Best regards,
Enrique
2018-06-13 10:20 GMT-05:00 Thomas Holder <thomas.hol...@schrodinger.com>:
> Hi all,
>
> I made a pull request to Pymol-script-repo where oldnumeric is replaced
> with numpy in the bundled ADT copy. Anyone willing to review and test this?
>
> https://github.com/Pymol-Scripts/Pymol-script-repo/pull/98
>
> Cheers,
> Thomas
>
> > On Jun 13, 2018, at 11:24 AM, J.R. W <jwillis0...@gmail.com> wrote:
> >
> > Enrique,
> >
> > I don’t know a lot about AutoDock, but I do know a lot about python.
> That error comes from using a new versions of numpy (1.14) that does not
> have old numeric with it anymore (deprecated in 1.9).
> >
> > You can do a few things. Run the script within pymol which uses a
> earlier release of numpy. rOr you could downgrade your numpy to 1.8 by using
> >
> > Pip install ‘numpy==1.8’ —force-reinstall
> >
> >
> > But I’d recommend you do that in an environment. This is the perfect
> time for virtual environments
> >
> > https://realpython.com/python-virtual-environments-a-primer/
> >
> >
> >
> >> On Jun 12, 2018, at 2:36 PM, Enrique Ordaz <en.ordaz...@gmail.com>
> wrote:
> >>
> >> Dear everyone,
> >> I have recently installed the open-source Pymol 1.7.x on Ubuntu 16.04
> >> sudo-apt-get install pymol
> >>
> >> I then added the Pymol-script-repo which includes the Autodock/Vina
> plugin and ADT. This has worked well for me in the past. However on this
> new installation I keep getting the following error:
> >>
> >> Batch: /home/enrique/Pymol-script-repo/modules/ADT/
> AutoDockTools/Utilities24/prepare_receptor4.py -r
> /home/enrique/pymol/receptor.1crl.pdb -o
> /home/enrique/pymol/receptor.1crl.pdbqt
> -A checkhydrogens
> >> Traceback (most recent call last):
> >> File "/home/enrique/Pymol-script-repo/modules/ADT/
> AutoDockTools/Utilities24/prepare_receptor4.py", line 10, in <module>
> >> import MolKit.molecule
> >> File "/home/enrique/Pymol-script-repo/modules/ADT/MolKit/molecule.py",
> line 25, in <module>
> >> from mglutil.util import misc
> >> File "/home/enrique/Pymol-script-repo/modules/ADT/mglutil/util/misc.py",
> line 19, in <module>
> >> import numpy.oldnumeric as Numeric
> >> ImportError: No module named oldnumeric
> >>
> >> Hope someone can help me or point me in the right direction.
> >>
> >> Best regards,
> >> Enrique Ordaz
>
> --
> Thomas Holder
> PyMOL Principal Developer
> Schrödinger, Inc.
>
>
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