Dimension of the "Diversity limit"

User 25d107bd42

14-12-2008 14:00:39

Hi,


what is the dimension of the "Diversity limit", used in the tool "Conformers" ?


Is it in kcal/mol or kJ/mol, or other ?


In the "Help-User's Guide" there is no information about it.





One has to know this dimension to judge the results of the conformers table.





Regards, Hans-Ulrich

ChemAxon 8b644e6bf4

15-12-2008 03:04:20

Dear Hans-Ulrich,





It is the minimal required RMSD (in Angstrom) between different conformers for the best overlap. Any pair of conformers reported should not be possibly fitted better than this criteria.








regards,


Gabor