Re: [Rdkit-discuss] Using RDKit in PyCharm and Anaconda on Windows

2017-06-01 Thread Richard West
Thanks, everyone, for the ideas and suggestions. The easiest thing we have come up with so far, in case this helps anyone else, is to find the shortcut to PyCharm in your Windows Start Menu folder, create a copy of it called something like "PyCharm - your_env" and edit the target so that

Re: [Rdkit-discuss] Using RDKit in PyCharm and Anaconda on Windows

2017-06-01 Thread Markus Sitzmann
I definitely have it working on Linux, too, but it might have been that I also only tried it with PyCharm 2017.1.3 first. Before that, I did what Greg suggested, starting pycharm from the activated environment. Unfortunately I have no experience with Windows in this regard, too. On Thu, Jun 1,

Re: [Rdkit-discuss] Using RDKit in PyCharm and Anaconda on Windows

2017-06-01 Thread Pavel Polishchuk
I had some issues to run rdkit from Python console in PyCharm (4.5.5) on Linux. After recent installation of PyCharm 2017.1.3 it started to work. Maybe updating PyCharm will help on Win as well. Pavel. On 05/30/2017 10:10 PM, West, Richard wrote: We're having trouble getting RDKit to work

Re: [Rdkit-discuss] Using RDKit in PyCharm and Anaconda on Windows

2017-05-31 Thread Christos Kannas
Hi Richard, I use rdkit with Miniconda and PyCharm as you do. Which makes things easier as far for autocomplete in the IDE. But I do not use PyCharm's Python console for that same reason, instead I have a cmd window with my Python environment activated to run tests. Greg's proposed solution for