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Toolkits--java
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  • OEChem Toolkit 3.1.0.0 »
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  • Print molecule atom names

Print molecule atom names¶

A program that prints the Tripos atom names for each atom in a molecule. Useful for specifying atoms in the minpath example (see above).

Example¶

prompt> PrintAtomNames input.oeb.gz

Code¶

Download code

PrintAtomNames.java

See also

  • OETriposAtomNames function
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© Copyright 2020, OpenEye Scientific Software, Inc. Last updated on Dec 09, 2020.