Hi Dave,
On Wed, Feb 1, 2017 at 12:04 PM, David Cosgrove <[email protected]>
wrote:
>
> I've got as far as 'Preserving Molecules' in the 'Getting Started with
> C++' document I'm writing, and it appears that the MolPickler doesn't write
> properties into the pickle. Is that right? If so, it means the molecule
> name goes missing, which is an issue when putting multiple molecules in the
> same file.
>
Correct. The current pickler does not store molecule properties. There's a
PR in progress to provide an option to add properties to pickles -
https://github.com/rdkit/rdkit/pull/1277- so it's likely that this no
longer be a limitation in the next release.
-greg
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