Hi Francesco, being new in the field everything can be confusing especially with conda ;)
Just to make it clear: do you have a folder named RDKit in C://? If so just deleted the folder and it should be working. (A student of mine did the Same) To clarify: anaconda installs RDKit from an online source so there ist No need to Download anything manually after you did the conda Install. If that does not help I have a detailed how- to which I can send to you tomorrow. Best, Jennifer Francesco Coppola <coppolafrancesco1...@gmail.com> schrieb am Do., 5. März 2020, 17:25: > 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 > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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