Help Running oddt_cli

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ryconn...@gmail.com

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Mar 6, 2019, 2:20:32 PM3/6/19
to Open Drug Discovery Toolkit Community
Hello!

Pardon my lack of Python knowledge; I am an IT technician trying to help a chemist (also with little to no Python knowledge) run oddt from a Windows PC.

I've installed Python 3.7.2, OpenBabel 2.4.1, and Anaconda. I installed rdkit, created, and activated an environment.

I've installed ODDT using pip.

However, running the oddt_cli command gives us the error "not recognized as an internal or external command,... etc" even if I browse to the folder containing the "oddt_cli" file.

Do you have an idea of what we might be doing wrong?

Thank you!

--Ryan

Maciek Wójcikowski

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Mar 10, 2019, 1:17:25 PM3/10/19
to ryconn...@gmail.com, Open Drug Discovery Toolkit Community
Hi Ryan,

Can you confirm that ODDT is in fact installed in that environment by "conda list" and try to import it in Python. It should be available in the environment if you installed it with pip. Maybe your anaconda is not installed properly a d there are problems with PATH. 

You can also try to install the latest git version via pip git+https://github.com/oddt/oddt.git

Let mne know if it helps. 


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