Introduction to Ritnos

Benzoic Acid is provided as an example with Ritnos.

Navigate to \ortex\ritnos\benzoic_a_nos.ins using the button in Oscail

Click the run program button

On dialog 7 Ritnos is selected. Click Run.

Click XtalVIEW on the menu and a picture of the crystal based on attachment energies is shown.

The faces plotted here are listed in the Habit inpit file. If you use Edit_Habit.inp then you will see the following lines at the end of the file

1 0 0
0 1 1
1 0 -2
0 0 2
99 0 0

You can change the faces you want to be included in the calculation. The program MORANG runs alongside Habit and you can see the BFDH predicted faces if you use Edit / Edit_Morang.lst

Close the Pogl window and click Run_Habit on the Ritnos menu and Edit/Edit_HABIT.lst if you want to have a look at the output file from HABIT.

Crystal Face Analysis- Calculate/Analyse Faces can be used to analyse crystal faces edit Ritnos.log to look at the results. The following is from the output.

There are instructions in the Ritnos Help file which show how to go from a Shelx INS file to Ritnos input.
It is also easy to convert a CIF file to an INS. Look at the Ritnos help - Ritnos Input File Generation.