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  • marco's avatar
    659a5557
    fix several problems in PDBWriter · 659a5557
    marco authored
    Residues with names shorter than 3 letters are left-padded,
    we throw an error if we encounter chain, residue and atom
    names that are too long (longer than 1, 3 and 4 characters
    respectively) and we try to put the atom name into the
    correct column.
    
    Oh, and we insert TER records at the correct positions.
    
    All in all the code is much cleaner and faster as it does
    not longer rely on boost.format (yes, io performance is
    sometimes critical).
    
    git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2215 5a81b35b-ba03-0410-adc8-b2c5c5119f08
    659a5557
    History
    fix several problems in PDBWriter
    marco authored
    Residues with names shorter than 3 letters are left-padded,
    we throw an error if we encounter chain, residue and atom
    names that are too long (longer than 1, 3 and 4 characters
    respectively) and we try to put the atom name into the
    correct column.
    
    Oh, and we insert TER records at the correct positions.
    
    All in all the code is much cleaner and faster as it does
    not longer rely on boost.format (yes, io performance is
    sometimes critical).
    
    git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2215 5a81b35b-ba03-0410-adc8-b2c5c5119f08