Skip to main content
Fig. 3 | Journal of Cheminformatics

Fig. 3

From: AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules

Fig. 3

Single molecule report provided by AtomicChargeCalculator. It can be downloaded or inspected in the browser, and consists of several sections: summary information about the molecule, interactive list of values for all sets of charges, statistics within each set of charges, pairwise comparison statistics between sets of charges, and interactive 3D visualization of molecules

Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us