OEChem - C++ Theory Manual Version 1.3.1

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15.2 Tripos Atom Typing

The OEChem library contains several routines to perform Tripos atom typing. Tripos atom types are commonly used in computational chemistry from the Tripos force field itself, to Gasteiger's partial charge algorithm, xlogp, and even the writing of Sybyl .mol2 format files.

• 15.2.1 OETriposAtomTypes
• 15.2.2 OETriposAtomTypeNames
• 15.2.3 OETriposTypeNames
• 15.2.4 OETriposAtomNames

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				OEChem - C++ Theory Manual Version 1.3.1

Previous: 15.1 Integer Atom Types Up: 15. Atom and Bond Next: 15.2.1 OETriposAtomTypes

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Documentation released on July 30, 2004.