More advanced settings are now available when docking with GOLD programmatically through the API. Here’s what has changed in the 2021.1 release.
It is now possible to generate a 3D structure from a SMILES string in the CSD Python API. Here we’ll explain how it works.
Our 2021.1 release allows high throughput docking with GOLD to be run with HPC clusters, giving you flexibility to perform virtual screens with cloud or cluster compute power.