bio-pdb-structure-modification
Installation
SKILL.md
Version Compatibility
Reference examples tested with: BioPython 1.83+, numpy 1.26+
Before using code patterns, verify installed versions match. If versions differ:
- Python:
pip show <package>thenhelp(module.function)to check signatures
If code throws ImportError, AttributeError, or TypeError, introspect the installed package and adapt the example to match the actual API rather than retrying.
Structure Modification
"Extract a chain from a PDB file" → Remove/add atoms, residues, or chains; transform coordinates; modify B-factors and occupancies; build structures programmatically.
- Python:
Bio.PDB.PDBIO()withSelectsubclass for filtering,Bio.PDB.Superimposer()for transforms
Transform coordinates, remove/add entities, modify properties, and build structures programmatically.