Re: [Rdkit-discuss] https://sourceforge.net

2015-03-23 Thread Paul Emsley
On 21/03/15 04:48, Greg Landrum wrote: Does anyone see a problem with me doing a commit there that removes all the code and just leaves a look in github readme? I would have found this useful :-) Paul. -- Dive

Re: [Rdkit-discuss] https://sourceforge.net

2015-03-23 Thread TJ O'Donnell
How about including a link on sourceforge to this: https://help.github.com/articles/support-for-subversion-clients/ so that folks without git clients can get started. TJ On Fri, Mar 20, 2015 at 9:48 PM, Greg Landrum greg.land...@gmail.com wrote: The mailing lists and one form of the downloads

[Rdkit-discuss] detect unassigned cis/trans stereo

2015-03-23 Thread Jose Manuel Gally
Dear rdkitters, I was wondering if someone knew a way of detecting unassigned stereobonds? I looked for something similar to FindMolChiralCenters(mol, includeUnassigned=True), but couldn't find anything. For example this snippet : from rdkit import Chem mol = Chem.MolFromSmiles('FC=CF') bonds