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  • marco's avatar
    78606b84
    improved behaviour of rule-based builder · 78606b84
    marco authored
    as soon as an atom is unknown, we switch back to a distance-based
    connect mechanism for the full residue. This avoids problems with
    residues coming from CHARMM/GROMACS and other force fields that do
    not follow the naming convention of the PDB. To really become useful,
    some additional changes to the compound library are required that
    will be implemented in a next commit
    
    git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2714 5a81b35b-ba03-0410-adc8-b2c5c5119f08
    78606b84
    History
    improved behaviour of rule-based builder
    marco authored
    as soon as an atom is unknown, we switch back to a distance-based
    connect mechanism for the full residue. This avoids problems with
    residues coming from CHARMM/GROMACS and other force fields that do
    not follow the naming convention of the PDB. To really become useful,
    some additional changes to the compound library are required that
    will be implemented in a next commit
    
    git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2714 5a81b35b-ba03-0410-adc8-b2c5c5119f08