Specifying membrane normal

class gorder.membrane_normal.DynamicNormal(heads, radius=2.0, collect=None)

Request a dynamic local membrane normal calculation.

Parameters:

• heads (str) – Selection query specifying reference atoms representing lipid headgroups (typically phosphorus atoms or phosphate beads). Must be exactly one atom/bead per lipid molecule.

• radius (float) – Radius of the sphere used to select nearby lipids for membrane normal estimation in nm. Recommended value is half the membrane thickness. Must be greater than 0. The default value is 2.0 (nm).

• collect (Optional[Union[bool, str]], default=False) – Determines whether dynamic membrane normals are saved and exported. By default (False), normals are not saved. If True, normals are saved internally and accessible via the Python API, but not written to a file. If a string is provided, normals are saved and written to the specified output file.

Raises:

ConfigError – If radius is not positive.