Re: [Rdkit-discuss] Missing Properties for Mol in Multiprocessing Pool

2017-01-13 Thread Brian Kelley
By default, normal molecules don't pickle properties. The pickling is used to transfer mols in Python multiprocessing. Wrapping them in a PropertyMol should solve the issue: http://www.rdkit.org/Python_Docs/rdkit.Chem.PropertyMol.PropertyMol-class.html Brian Kelley > On Jan 13, 2017, at

[Rdkit-discuss] Missing Properties for Mol in Multiprocessing Pool

2017-01-13 Thread Paul Novick
Hello All I am getting strange behaviour for mols passed into multiprocessing Pools. I am finding that all of the SD properties for the mol seem to disappear within the worker process. In the following, I am attempting to retrieve the 'ChemDiv_IDNUMBER' property from a series of mols. When