This command is for entering substructures of a given type into the database. The format is:
Substructures Filename Reference Test
The command line is:
Test
: if true, then only the file will be read in, if false, the file will be read in and the database modified.The input from this command modifies the CMLElement and the StructureType tables.
For example for the line:
c/h CH-Bond VibrationalStructure
In the CMLElement database, the nancy linear form is interpreted and the structure is saved. Here, the ElementName is set to CH-Bond
. The Source
in the table is set to the Reference
given in the input line. The structure is saved in CML form.
In the StructureType table, the respective ElementName
and StructureType
fields are modified. In the example, the ElementName
to CH-Bond
and the SymmetryType
to SymmetryElement
.