continuous-symmetry-measure/extract_ligands: extract_ligands_V1.0.0
Abstract
Extract "main ligands" from a set of protein structure in PDB format and write each ligand into a separate PDB file.
Fields of Study & Subjects
Enzyme Structure and Function
Protein Structure and Dynamics
Computational Drug Discovery Methods
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 23 February 2026
- Language
- EN