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Atom Type Lists

The table listed in this Appendix is generated with the following code, listing all six properties of CDK atom types, as outlined in Section cdkatomtype:

ListAllCDKAtomTypes

For the Sybyl atom types we can do the same, just by updating to code to load the proper atom type list:

ListAllSybylAtomTypes

CDK Atom Types

atomtypelist.md
atom type element symbol formal charge number of neighbors hybridization number of lone pairs number of pi bonds
Sybyl Atom Types
atomtypelist.md
atom type element symbol formal charge number of neighbors hybridization number of lone pairs number of pi bonds