Dear All, I have some query related to canonical option in babel and am new to babel
I have two pdb files (a.pdb and b.pdb). These include just heavy atoms but are pdbs for same structure. a.pdb and b.pdb have same atom names but different atom number and coordinates. What I expect is canonical output should remain same. But both gives me different canonical order. Is this bug or something I am missing. I use this command: babel --canonical -ipdb a.pdb -opdb a_cano.pdb babel --canonical -ipdb b.pdb -opdb b_cano.pdb I get different canonical ouput in both pdbs. Should not be the order remain same? Please suggest regards, Jiom
a.pdb
Description: Protein Databank data
b.pdb
Description: Protein Databank data
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