Re: [Rdkit-discuss] Creating Mol Object From SD File

2018-08-29 Thread Dimitri Maziuk via Rdkit-discuss
On 08/29/2018 01:54 PM, Chris Murphy wrote: > Hi, > > I finally realized that when passing an sdf string to Chem.MolFromMolBlock, > the Mol object will not retain the properties from the sdf. Ugh. You're right. +1 for a MolFromSdfBlock() that doesn't lose the properties. > Also, it seems that

[Rdkit-discuss] Creating Mol Object From SD File

2018-08-29 Thread Chris Murphy
Hi, I finally realized that when passing an sdf string to Chem.MolFromMolBlock, the Mol object will not retain the properties from the sdf. Knowing that, I am wondering if there is a way to create a single Mol object from a SDF string. Right now, the only way I know is by using SDMolSupplier: