View MolconnZ Structure Report Dialog Box

MolconnZ Structure Report Dialog Box

Molecule Details: check box; Include a Molecule Details block in the Structure Report
Atom Type EStates: check box; Include a Atom Type EStates block in the Structure Report
Group Type EStates: check box; Include a Group Type EStates block in the Structure Report
HBond Donors and Acceptors: check box; Include a HBond Donors and Acceptors block in the Structure Report
Internal Hydrogen Bonds: check box; Include a Internal Hydrogen Bonds block in the Structure Report
Chi Indices: check box; Include a Chi Indices block in the Structure Report
Kappa Indices: check box; Include a Kappa Indices block in the Structure Report
Symmetry Elements: check box; Include a Symmetry Elements block in the Structure Report
Molecular Rings: check box; Include a Molecular Rings block in the Structure Report
Atoms...: push button; Select atoms for the operation, e.g., "All" atoms of a molecule.
Algorithm Options...: push button; Calling this dialog (Algorithm Options...) allows you to change some of the Molconn-Z algorithm options; in particular, options for Topological State Function, Chi Order Limit, Molecular Connectivity Algorithm and Topological State Algorithm can be selected.
Report File: field; Enter the filename of the Report File to be created.