ChEMBL_Structure_Pipeline (formerly standardiser)
Format Checking
Tool designed to provide a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.
Source attribution
- Awesome Cheminformatics — github.com/chembl/chembl_structure_pipeline
Related resources
Molecule validation and standardization based on [RDKit](http://www.rdkit.org/).
A script to run structural alerts using the RDKit and ChEMBL
A swiss army knife for manipulating and editing PDB files.