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Open steto123 opened this issue 1 year ago • 5 comments

Analysing an NMR calculation from Orca in ChimeraX is nice. But i can not easily assign the isotropic schift values for specific atoms. In the fiile tool i find a table weith shift, element, intensity und ndx. But no explanation what ndx mean. Can zou add a row with atom name like C2 or H5. This can be helpful for analysing NMR calculations.

Thanks for your nice work

steto123 avatar Oct 26 '23 08:10 steto123