Add to Personal Library Tool
This tool can be used to add substituents, ligands, or rings to your personal AaronTools library. To preview a structure before adding it to your library, leave the "name" entry blank.
To add a substituent, select the atoms belonging to that substituent. You may also enter conformer information that can be used by AARON for conformer searches.
You can then use your substituent with SEQCROW's substitute command or structure editing tool to add new substituents or replace existing ones on your structures.
New substituents will also create a new selector if the substituent name is legal for selectors (first character is a letter, all other characters are letters, numbers, or plus or minus signs). Selectors will appear under Select → Chemistry → Substituents.
To add a ligand, select the atoms belonging to that ligand. If the ligand has non-bonding key atoms (e.g. H-bonding key atoms), you will have to select all key atoms and press "set key atoms to current selection".
Ligands in the library can be used to replace other ligands on a transition metal catalyst or organocatalyst to quickly generate different catalysts. In SEQCROW, this can be done with the structure editing tool.
To add a ring, select the path AaronTools should walk around the ring.
Rings can be added to structures with the structure editing tool or fuseRing command.