Conversion to .mel

When you have a molecule in Cerius² that you would like to convert, use the File->Save Model As… function to save the file as a MACCS format with a .mol extension.

When running mol2mel, users have the option of creating either space-filled or ball & stick models. This option can be chosen after the fact, regardless of the display mode used for the molecule in Cerius ².Once you have a .mol file from Cerius², conversion with mol2mel is simple. Figure 2 shows the mol2mel command-line interface.

Given a .mol file called grossular.mol, the command to create a ball and stick model conversion would be:

mol2mel –bs grossular.mol grossular.mel

This would create a file called grossular.mel which can then be sourced from within Maya to create the new model. If you wanted a space-filled model instead of ball and stick, leave off the –bs flag.

Page 3 of 4