I would like to use Avogadro as a way to create energy-minimized molecular
conformations for an NMR prediction platform called PERCH.
PERCH will only accept 3D structure files in *.mol or *.mms format.
How can I save the Avogadro-generated 3 structure as a *.mol file?
Thanks
Hi Brent,
Did you try:
File >> Save as >> “mymolecule.mol”?
Best,
Dave
On Wed, May 29, 2013 at 2:28 PM, Brent Friesen ochemonline@gmail.comwrote:
I would like to use Avogadro as a way to create energy-minimized molecular
conformations for an NMR prediction platform called PERCH.
PERCH will only accept 3D structure files in *.mol or *.mms format.
How can I save the Avogadro-generated 3 structure as a *.mol file?
Thanks
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