pub fn flexibility_score(structure: &Structure) -> Result<Vec<(usize, f64)>>Expand description
Compute normalized B-factor Z-scores per residue.
For each residue, the flexibility score is:
Z = (residue_avg_B - global_mean_B) / global_std_B
High Z-scores indicate flexible regions; low Z-scores indicate rigid regions.
Returns a list of (residue_seq_num, z_score).
ยงErrors
Returns an error if the structure has no atoms or if the global B-factor standard deviation is zero (all atoms have the same B-factor).