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* writes sdf files with the "ideal" coordinates successfully
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* these sdf files can be read by Mogul and the atoms are labelled with their PDB atom name. For instance reading `tests_out/ATP.ideal_withH.sdf` and selecting atom labels on results in:
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* ![ATP_ideal_withH_sdf_into_Mogul](/uploads/8e7c6e82ee4b024a3742f45debc55780/ATP_ideal_withH_sdf_into_Mogul.png)
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* pymol can also load although it does not get atom order or alias
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* obabel is confused by the alias but never mind.
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* many things left to to do
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* is this a sdf or a mol file?
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* set sensible title for the molecule in the file
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