Structure Checker in JChem for Excel

    Structure Checker is a chemical validation tool detecting and fixing common structural errors or special features that can be potential sources of problems. Structure Checker works with predefined checking elements and it is possible to choose which ones should be considered when runs a check.


    This function gives a text-type warning about the specified structural error.


    This function gives a structure-type warning about the specified structural error.


    This function offers a fixed structure.


    Returns TRUE if any atom in the molecule has valence error, FALSE otherwise.


    This function shows if the original structure is valid or not.

    The parameters are as follows:

    • Molecule: The input molecule to be checked.

    • ActionString: The action to perform on the input molecule.

    Available Checkers

    Checker Action Strings
    Abbreviated group abbrevgroup
    Alias alias
    Aromaticity error aromaticity
    Atom map atommap
    Atom value atomvalue
    Attached data attacheddata
    Bond angle bondangle
    Bond length bondlength
    Chiral flag error chiralflag
    Coordination system error coordsystem
    Covalent counter ion covalentcounterion
    Crossed double bond crosseddoublebond
    Empty structure emptystructure
    Explicit hydrogen explicitH
    Explicit lone pairs explicitlonepairs
    Isotope isotope
    Metallocene metallocene
    Missing atom map missingatommap
    Molecule charge moleculecharge
    Multicenter multicenter
    Multicomponent multicomponent
    OCR error OCR
    Overlapping atoms overlappingatoms
    Overlapping bonds overlappingbonds
    Pseudo pseudo
    Query atom queryatom
    Query bond querybond
    Radical radical
    Rare element rareelement
    Reaction map error reactionmap
    Ring strain error ringstrain
    Solvent solvent
    Star atom staratom
    3 dimension 3dimension
    Valence error valence
    Wedge error wedge
    Wiggly double bond wigglydoublebond

    For information regarding the Structure Checker, see Structure Checker.