Structure Checker


Structure Checker GUI in Marvin Sketch with problem molecule

Overview

Structure checker is a tool for filtering drawing mistakes or special structural elements.

Registering a compound in a company’s database might limit the user in for example the introduction of non-natural isotopes, query bonds, species with charge etc. Structure checker runs a check on the molecule(s) features and lists them in a separate window, with the option to refresh when you make changes to your drawing. The Structure checker works with predefined checking elements and you can choose which ones should be considered when you run a check.

Error Checkers

  • Aromaticity
  • Chiral flag
  • Coordination system
  • Ring strain
  • Reaction map
  • Valence
  • Wedge

IssueCheckers

  • Abbreviated group
  • Alias
  • Atom map
  • Atom value
  • Attached data
  • Bond angle
  • Bond length
  • Covalent counterion
  • Crossed double bond      
  • Explicit hydrogen
  • Isotope
  • Metallocene
  • Missing atom map
  • Multicenter
  • Multicomponent
  • Overlapping atoms
  • Overlapping bonds
  • Pseudo atom
  • Query atom
  • Query bond
  • Pseudo atom
  • Radical
  • Solvent
  • Three dimension
  • Wiggly double bond