Re: [Rdkit-discuss] Anaconda and RDkit

2020-03-05 Thread Alan Kerstjens Medina
acosgrov...@gmail.com> Sent: 05 March 2020 18:52 To: Francesco Coppola<mailto:coppolafrancesco1...@gmail.com> Cc: rdkit-discuss@lists.sourceforge.net<mailto:rdkit-discuss@lists.sourceforge.net> Subject: Re: [Rdkit-discuss] Anaconda and RDkit Of no help to Francesco whatsoever, but to save

Re: [Rdkit-discuss] Anaconda and RDkit

2020-03-05 Thread David Cosgrove
Of no help to Francesco whatsoever, but to save anyone else the bother... I’ve just taken the “from __future__...” bit out of the getting started docs in the PR I have open at the moment. It doesn’t seem worth its own PR but it needs to be acknowledged that we are now in the future 😀. Dave On Th

Re: [Rdkit-discuss] Anaconda and RDkit

2020-03-05 Thread Jenny h
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

[Rdkit-discuss] Anaconda and RDkit

2020-03-05 Thread Francesco Coppola
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, Ter