Hi, I'm Francesco Coppola a recent graduate student in Medicinal Chemistry in Italy. Now I'm in Manchester and I'm doing a traineeship in computational chemistry. During my thesis work, I deal with Docking programs (and they always had an interface), now instead I'm trying to work with Python, Terminal and interpreter.
I have searched on a thousand sites and blogs but I just can't install RDKit on a Windows pc. In particular, I have a problem when I would activate the environment. I have the latest version of RDKit (the folder is on my desktop and *just* copied/pasted in c: ). First I followed this command: conda create -c rdkit -n my-rdkit-env rdkit Done this installation, I type: conda activate my-rdkit-env Now in Ananaconda Prompt, I see: (my-rdkit-env) c:\Users\HP> (and in fact, I can find this file "my-rdkit-env in the folder env of Anaconda3) But now, I'm not in Python. So I type py and Python 3.8.2 starts >>> Now I follow this guide: https://www.rdkit.org/docs/GettingStartedInPython.html, and I Type the first two command line: >>> from __future__ import print_function>>> from rdkit import Chem But it don't works. Traceback (most recent call last): File "<stdin>, line 1, in <module> ModuleNotFoundError: No module named 'rdkit' >>> I need a guide that tells me what to do step by step. Sorry if I disturbed you, I hope you can help me..I'm completely inexperienced but I am trying to learn. Sorry for the trouble. Best regards Francesco
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