Module analysis 

B-factor analysis for macromolecular structures.

Provides per-residue and per-chain B-factor statistics, as well as normalized flexibility scores (Z-scores) to identify flexible and rigid regions.

Structs

BFactorStats

Descriptive statistics for B-factor values.

Functions

chain_bfactors

Compute per-chain B-factor statistics.

flexibility_score

Compute normalized B-factor Z-scores per residue.

residue_bfactors

Compute per-residue average B-factors across all chains.