Re: [Rdkit-discuss] Is RDKit able to generate a Bag of Bonds Matrix?

2019-05-02 Thread Guillaume GODIN
Sure have a nice week end GG De : Greg Landrum Date : vendredi, 3 mai 2019 à 05:48 À : Guillaume GODIN Cc : Henrique Castro , "rdkit-discuss@lists.sourceforge.net" Objet : Re: [Rdkit-discuss] Is RDKit able to generate a Bag of Bonds Matrix? On Thu, 2 May 2019 at 16:59, Guillaume GODIN

Re: [Rdkit-discuss] Is RDKit able to generate a Bag of Bonds Matrix?

2019-05-02 Thread Greg Landrum
On Thu, 2 May 2019 at 16:59, Guillaume GODIN wrote: > It’s good time to push to validate this pull request. > > > > What do you thing Greg ? > I’m out-of-office until the weekend, but I can try to take a look at it early next week. -greg ___

[Rdkit-discuss] Unable to build RDKit C# wrapper due to boost libraries

2019-05-02 Thread Esther Barlow-Smith
Dear all, I am trying to build the RDKit C# wrapper but I am having issues due to the build not finding certain boost libraries (boost_system, boost_iostreams and boost_python). I have tried solving the error by installing boost in different locations; through anaconda and also by installing

Re: [Rdkit-discuss] Is RDKit able to generate a Bag of Bonds Matrix?

2019-05-02 Thread Guillaume GODIN
Dear Henrique, It’s good time to push to validate this pull request. What do you thing Greg ? BR, Guillaume De : Henrique Castro Date : jeudi, 2 mai 2019 à 16:58 À : Guillaume GODIN , Greg Landrum Cc : "rdkit-discuss@lists.sourceforge.net" Objet : Re: [Rdkit-discuss] Is RDKit able to

Re: [Rdkit-discuss] Is RDKit able to generate a Bag of Bonds Matrix?

2019-05-02 Thread Henrique Castro
Dear Guillaume, how are you? I remember that I bumped into your commit, but since I'm not a developer I wasn't sure if it was dropped or accepted later. Could you instruct me on how to use your code? -- Henrique C. S. Junior From: Guillaume GODIN Sent: