Acellera / moleculekit

MoleculeKit: Your favorite molecule manipulation kit
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Refactor dihedral detection code #93

Open stefdoerr opened 2 years ago

stefdoerr commented 2 years ago

Right now it has a very limited list of residues. I should add a database of protein residues to moleculekit with full bond/type/atomnames information so that I can detect dihedrals much safer/cleaner, ideally also without atom names since CHARMM names would fail.