Input of the molecular formula to MOLGEN

Whenever you start MOLGEN, the following project window will appear:

(Take a closer look at this picture in Molgen for OS/2 / Windows / SUN.)

Inside, you get all information on the current project at a glance. In addition, you can enter the molecular formula used for the generation.

Even a formula with comparatively few atoms like C8H16O2 has 13,190 corresponding isomers. It is nearly impossible to achieve this number "by hand". But they have to be known for testing further properties, since usually one is only interested in certain few structures.

The user can determine them interactively with the aid of the system.

Next: The next piece of input are the restrictions.