GINGER - Charge and Stereochemistry Questions

[Andrew Orry]

Q: Do formal charge assignment and stereochemistry enumeration need to be done prior to running GINGER to generate conformers (.molt file)?
A: By default, GINGER will preserve existing stereochemistry and formal charges in the input molecules.
If needed, formal charges can be assigned according to MolSoft’s pKa model using the -C option.

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Q: Will racemic centers be sampled during processing?
A: Yes, racemic centers will be sampled.