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(incremental) Support for D-AminoAcids #994

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aalhossary
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Support of D-AminoAcids (to be recognized as AminoAcids instead of HetAtomGroups).

Other modoficatiosn may follow to support bigger ChemComp names.

Related to #993

We need to discuss the fate of an AA if it comes as a ligand.
@JonStargaryen
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Brief question: Does this fix a particular problem or is the motivation solely completeness?

At least according to the docs it seems as treating D-amino acids as hetatms is the desired behavior:

@aalhossary
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Does this fix a particular problem or is the motivation solely completeness?

It fixes a particular problem. I am searching the PDB for different types of cross links (e.g. isopeptide) which are present in D as well as L aminoacids. Treating D-AminoAcids as just HetAtom group limits me to a great extent.

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Regarding completeness, technically they are not different from L-AminoAcids and different bonds can form between them and L-AminoAcids.
Add to this that nucleotide- analogues and D-AminoAcids are increasingly being deposited in PDB nowadays, in contrast to when BioJava 1.7 was designed.

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I am willing to take the responsibility of this initiative, but we need to discuss any major design change thoroughly first.

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See my comments in #993

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Let's keep this pull request for the implementation discussions, and keep the design discussions to the #993 .

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3 participants