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:
https://github.com/rdkit/rdki
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 Mali
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.
> http://www.rdkit.org/Python_Docs/rdkit.C
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()) returned the object I ne
4 matches
Mail list logo