building chains of resonance groups from connectivities
 

building chains of resonance groups from connectivities

Greetings,

Given a dictionary of connectivities of the following form:

residue i -> possible residues i-1 :

54 -> 23, 45, 6712 -> 78, 543 -> 4 ,7etc.

where the number above are not residue number, but resonance groups. I want to find all possible chains of resonance groups, for example:

(38, 50, 76, 63, 78)(38, 50, 76, 63, 45, 90)(38, 12, 30)(64, 53, 60)(64, 53, 20, 44)etc.

I think this is a common problem in NMR, so I would like to ask if anyone knows any program or Sparky plugin that does a similar job to use it as a reference.



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