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Atom mapping update #339
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Merged
Atom mapping update #339
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…so that it only applies to the input widget
…so that it has the element symbol which includes the isotope
MBartkowiakSTFC
approved these changes
Mar 5, 2024
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Thanks for the changes! It works, and now the trajectory information is consistent too.
At some point we will have to do something about the PDB files handling, but for the moment the way different converters work has been made more consistent already.
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Description of work
Atom mapping not added for converters which used PDB file input since the mapping is done with the molecule, nucleotide and residue databases.
Fixes
Closes #336, Closes #335, Closes #334, Closes #306, Closes #330
To test