2.5 Functional Groups

Make sure you follow the structure conventions used in the Beilstein database (see manual); if you are not sure how to draw a functional group choose it from the template file "residue.bsd".

2.6 Setting Atom Attributes (individual attributes)

On clicking at an atom (edit mode) an atom dialog box appears; further atom specifications such as number of free sites, charges, radicals, exact mass, set attachment points etc. can be defined.

You can allow or exclude isotopes (apart from D and T) and set or delete maximum free sites after selecting the atom(s) within the menu Query

 

2.7 Structure Query Options (global attributes)

Options which will be taken into account for the whole structure query can be set

These options define if stereochemistry is taken into account and if tautomers etc. are allowed.

 

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