Configuration of settingsΒΆ

The current settings of chemcoord can be seen with cc.settings. This is a dictionary that can be changed in place. If it is necessary to change these settings permamently there is the possibility to write a configuration file of the current settings, that is read automatically while importing the module. The configuration file is in the INI format and can be changed with any text editor.

The possible settings and their defaults are:


['atomic_radius_data'] = 'atomic_radius_cc'
Determines which atomic radius is used for calculating if atoms are bonded
['use_lookup_internally'] = True
Look into get_bonds() for an explanation
['viewer'] = 'gv.exe'
Which one is the default viewer used in chemcoord.Cartesian.view() and chemcoord.xyz_functions.view().
write_configuration_file([filepath, overwrite]) Create a configuration file.
read_configuration_file([filepath]) Read the configuration file.