ost.mol.alg submodules are now documented in separate pages. This should
make it clearer what to import.

The Scorer object provides two mappings. The default mapping which is
QS-score based and the rigid_mapping which is RMSD based.
The rigid_mapping is now the basis for global superposition based
scores such as RMSD and GDT. And here's the thing, OpenStructure got
a brand new GDT implementation! Scanning of best possible superpositions
is a bit simpler than in LGA but the results are similar.
Benchmarking against CASP15 TS models returns GDT_TS score where 99.2%
are within 3 GDT points with the LGA results and the maximum observed
difference is 7.39. There is a tendency for slightly lower scores in
OpenStructure meaning LGA sometimes found better superpositions.

BUT: Oligo/RNA support comes for free in the Scorer object!

Chain naming in biounit construction reserves 1.<au_cname> for the
respective AU chain with identity transform applied. As of January
2024, there are 3 PDB entries (8qn6, 8x1h, 2c0x) where the same AU
chain with identity transform occurs several times in the same
biounit. This is likely an error in the respective mmCIF files as
the resulting chains sit on top of each other. OST just names the
FIRST occurence as 1.<au_cname>.

A warning for that behaviour is also added to the documentation

The chain naming strategy can be read in the documentation

Computes Interface Contact Similarity (ICS) score which is relevant
for CASP.

- Results slightly differ from predictioncenter website, need
  to check with Andriy where this comes from
- Should be a good basis to also add Interface Patch Similarity (IPS)
  score.

- Keep track of the membrane facing atoms that contributed to the energy
  function and map their energies as float properties to the input entity
- Don't consider atoms with energy contributions of 0.0 in the optimizer to
  to speed things up