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GMMX

The process of generating 3-D conformers from a 2-D structure in NMRPredict relies upon the GMMX software from Serena Software. GMMX is automatically included as part of NMRPredict.

All possible conformers are calculated and then sent to CHARGE.

If you prefer to use your own 3-D conformer software you are free to do so. Simply tell NMRPredict not to generate any 3-D conformations.