Loading...
Searching...
No Matches
What's New in Version 2.3

Throughout the API documentation, new classes and methods are indicated with a disclaimer "Since: version 2.3."

Several new classes and features have been introduced, notably

- New Stereochemistry classes
- New Substructure Search classes
- Improved Conformer Searching searching
- OBChargeModel - Cleaner interface for assigning partial charges using different models
- OBGraphSym - Cleaner interface for computing the stereochemical symmetry classes
- OBSpectrophore - A new powerful descriptor for screening bioactive molecules
- OBDepict - 2D depiction

In addition, a wide variety of new plugins are available, including

- computation of partial charges using GasteigerCharges, MMFF94Charges, QEqCharges, and QTPIECharges
- "diverse" conformer searching
- etc.