Yury

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Results 5 comments of Yury

Added handling of chimera-style indexing for PDB

Checks failed, but they were failing for me before my modifications too. And the test that checks my modification didn't fail.

Added handling of chimera-style indexing for PDB

You were right, there were some problems due to trailing spaces in some test files. Also, some tests wanted to create atoms from bare lines (without creating a PdbStructure instance)....

Added handling of chimera-style indexing for PDB

@rmcgibbo , can you please have a look Btw, this modification addresses [#906](https://github.com/mdtraj/mdtraj/issues/906#issuecomment-469063042).

Added handling of chimera-style indexing for PDB

You are correct in #1722 . My fix does address atom indexing in big files and does not address the same for residue indexing. I am not sure why there...

Possible documentation improvement on RELAX_MULTIPLICITY

A question: I ran into a problem described 10y ago in the mailing lists [here](https://groups.google.com/g/cp2k/c/9hMIHqx2qE4). The answer suggests `RELAX_MULTIPLICITY` should not do anything for `OT`. Another [thread](https://groups.google.com/g/cp2k/c/xPqalGvj_3I) 3y ago seems...