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Article ID: 818 - Last Modified: December 4, 2010

How can I display more decimals for atom labels? For example, I would like to display the Jaguar Fukui indices "f-NN-LUMO" to 6 decimals instead of the default of 2 decimals.

Changing decimal places for atom labels cannot be performed directly in Maestro, but there is a resource file that sets the number of decimals. To set the number of decimals, copy the file $SCHRODINGER/mmshare-vversion/data/m2io.ini into your ~/.schrodinger/maestronn directory. To this copy, add the atom property names to the end of the file, and set the display precision (first column) to the desired value. For example, to set the f-NN-LUMO property to 6 decimals, append the following line to the end of the file:

r_j_f-NN-LUMO 6

The next time you start Maestro, atom labels for f-NN-LUMO will display 6 decimals.

Keywords: atom labels, decimals, Maestro

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