[Rdkit-discuss] Molecule Editting in RDKit

Hi, I want to create RDKit Mol object manually. I can create RWMol object with appropriate (I guess) atoms and bonds. The required atoms and bond information are taken from another Mol object. It is indeed a tedious coding gymnastic you can say. Unfortunately, the end molecule lacks the 3D

[Rdkit-discuss] rdkit

Dear RDkitters, I hope not to bother anyone of you with a pillow-related question, but I'm facing issues when running this: from rdkit import Chem from rdkit.Chem.Draw import IPythonConsole from rdkit.Chem import AllChem ==>

Re: [Rdkit-discuss] Molecule Editting in RDKit

Hi Malitha, Here's a gist that provides, I think, a sketch of a solution for what you want to do. https://gist.github.com/greglandrum/da88ead12b396ada4e1b3258fab771a7 Best, -greg On Tue, Jul 4, 2017 at 5:18 PM, Malitha Kabir wrote: > Hi, > > I want to create RDKit

Re: [Rdkit-discuss] rdkit

Hi Paul, The small bit of sample code below and the error message make no mention of Pillow, did you forget something in your message? (the error that's there looks like a standard PATH problem, the kind one normally doesn't have while using conda) -greg On Tue, Jul 4, 2017 at 10:15 PM, Paul

Re: [Rdkit-discuss] rdkit

Dear Greg (and RDKitters), before it came to this error message, the conda installation of rdkit was running properly. I then did a “conda install pillow” in this conda installation, which now results in this error. BTW, “import pillow” shows: ImportError

Re: [Rdkit-discuss] rdkit

The fact that "import pillow" doesn't work is very suspicious. Can you please be sure that pillow and the rdkit are both installed in the active environment by executing: "conda list" On Wed, Jul 5, 2017 at 5:50 AM, Paul Czodrowski < paul.czodrow...@merckgroup.com> wrote: > Dear Greg (and