Re: [Rdkit-discuss] How to get a list of available properties from SD file

Dear Paolo Tosco, Thank you very much for offering a concrete coding lesson in your previous email. This will help me a lot. I have got all the answers. -Malitha On Tue, Jun 27, 2017 at 3:58 PM, Malitha Kabir wrote: > Dear Maciek Wójcikowski, > > list(m0.GetPropNames())

Re: [Rdkit-discuss] How to get a list of available properties from SD file

Dear Maciek Wójcikowski, list(m0.GetPropNames()) returned the object I need. Thank you very much. -Malitha On Tue, Jun 27, 2017 at 3:45 PM, Maciek Wójcikowski wrote: > Hi, > > There is a method GetPropsAsDict() or GetPropNames() for RDKit molecule. >

Re: [Rdkit-discuss] How to get a list of available properties from SD file

Hi, There is a method GetPropsAsDict() or GetPropNames() for RDKit molecule. http://www.rdkit.org/Python_Docs/rdkit.Chem.rdchem.Mol-class.html#GetPropsAsDict which should do what you want. Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl 2017-06-27 11:26 GMT+02:00

[Rdkit-discuss] How to get a list of available properties from SD file

Hi, Thank you very much in advance for kindly looking into this. My question is in short: Is there any method that can create a list of available properties from SD file? I am describing the scenario here: You can view a sample SD file from the following github link: