Knowledge Base

Article ID: 818 - Last Modified:

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

Back to Search Results

Was this information helpful?

What can we do to improve this information?

To ask a question or get help, please submit a support ticket or email us at
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles