Hi Eduardo,
Regarding 1., mol blocks end with "M END", and SDF files (aka SD Files)
are the ones with properties. In
https://www.rdkit.org/docs/GettingStartedInPython.html the code below "An
SDWriter can also be initialized using a file-like object" produces an SDF
string.
Best regards,
Diogo
On Tue, 12 Jul 2022 at 06:54, Eduardo Mayo
wrote:
> Hi all,
>
> I hope you are doing well. I have some questions:
>
> 1. Is there any way to read and write molecular properties in MolBlocks?
>
> mol = Chem.MolFromSmiles("C")
> mol.SetProp("Name", "methane")
> mol.SetProp("Formula", "CH4")
> Chem.MolToMolBlock(mol)
>
> Expected behavior:
> ```
> RDKit 2D
>
> 1 0 0 0 0 0 0 0 0 0999 V2000
> 0.0.0. C 0 0 0 0 0 0 0 0 0 0 0 0
> M END
> >
> methane
>
> >
> CH4
> ```
>
> 2. Is there any multiprocessor implementation of PandasTools.LoadSDF or
> SDMolSupplier?
>
> 3 How the MultithreadedSDMolSupplier works??
>
> All the best,
> Eduardo
>
>
>
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