Re: [Rdkit-discuss] sdf reading error between osx and windows

and that fixed it. Thanks again Paolo! Steven Combs On Wed, Apr 27, 2016 at 12:28 PM, Steven Combs wrote: > I will give that a try and let you know! > > On Wed, Apr 27, 2016 at 12:20 PM, Paolo Tosco > wrote: > >> Dear Steven, >> >> did you try to

Re: [Rdkit-discuss] sdf reading error between osx and windows

Dear Steven, did you try to open the file in binary mode on the Windows build ans see if it makes a difference? It does not make any difference on Linux and OS X, but it will change how newlines are handled on Windows. I suspect that's where the problem might be. Please get back to me, later

[Rdkit-discuss] sdf reading error between osx and windows

Hi! I am writing in c++ and loading an sdf file. This works perfectly for an osx build, but when I try to load the same file with the windows build of the program, I get errors and crashing (note: no errors in either the osx or linux build). I have attached the sdf file as well. The errors I get

[Rdkit-discuss] Ring detection difference between mol and query

Hi RDKit enthusiasts, There is a difference in ring detection between a molecule (FromSmiles) and query (FromSmarts). Like in this example: smiles = 'c1ccc2nncn2n1' # Construct mol m = Chem.MolFromSmiles(smiles) Chem.FastFindRings(m) ri = m.GetRingInfo() # Construct query q =