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.

JCCheck

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

JCCheckStructure

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

JCFixStructure

This function offers a fixed structure.

JCHasValenceError

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

JCIsValid

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.