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Biotite Integration

Support for Biotite AtomArray objects.

Installation​

pip install zsasa[biotite]
# or
uv add zsasa[biotite]

Import​

from zsasa.integrations.biotite import (
    calculate_sasa_from_structure,
    calculate_sasa_from_atom_array,
    extract_atoms_from_atom_array,
)

Supported Formats​

  • PDB (.pdb)
  • mmCIF (.cif)
  • BinaryCIF (.bcif)

Example​

from zsasa.integrations.biotite import calculate_sasa_from_structure

# From file
result = calculate_sasa_from_structure("protein.cif")

# From Biotite AtomArray
import biotite.structure.io as strucio
atom_array = strucio.load_structure("protein.pdb")
from zsasa.integrations.biotite import calculate_sasa_from_atom_array
result = calculate_sasa_from_atom_array(atom_array)

# Access results
print(f"Total: {result.total_area:.1f} Ų")

AtomWorks Compatibility​

Also works with AtomWorks (built on Biotite):

from atomworks.io.utils.io_utils import load_any
from zsasa.integrations.biotite import calculate_sasa_from_atom_array

atom_array = load_any("protein.cif.gz")
result = calculate_sasa_from_atom_array(atom_array)