Optimized MMFF::MMFFOptimizeMoleculeConfs() #534
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…as efficient as the multi-threaded one, avoiding re-generation of MMFFMolProperties and force-field for each conformations
greglandrum
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Jul 14, 2015
Optimized MMFF::MMFFOptimizeMoleculeConfs()
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as the multi-threaded one, avoiding re-generation of MMFFMolProperties and
force-field for each conformation