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Hi,
what I am basically wondering is if reindexing would also adjust the
underlying data structures for all bonded information or would only
the immediate indexes be affected. E.g. if I move an Atom to the end
by index would the bonded parameters be updated accordingly. Note:
the molecule has been created through Sire.IO.Amber()..readCrdTop().
Cheers,
Hannes.
Hannes Loeffler
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Mar 30, 2016, 9:31:22 AM3/30/16
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Ok, looks like mol.property('connectivity') is updated but none of the
terms hiding in mol.property("amberparameters").