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Description
Better pdb2sql has an option to select one alternative location for atoms of a residue
Description of problem
While checking the similarity of two PDBs (decoy & ref) when there are alternative locations of atoms for a PDB, it fails to calculate RMSD, as one has more atoms for a residue.
Suggested solution
pdb2sql can have a feature that the user selects which of the alternative locations to select (e.g. altloc= "A") while generating a pdb2sql object (not using only occ value on PDB column)
Alternative solution
While checking the similarity of two pdb2sql objects, selects one alternative location
Additional context
If letting the user defines based on occ value on PDB column, it happens in some PDBs that the occ value is around 50 and that would not be that much helpful