Structure Checker History of Changes

November 9th, 2015: Structure Checker 15.11.9

Improvements, deprecations

August 24th, 2015: Structure Checker 15.8.24


  • Additional improvements in Wedge Error Checker and Clean Wedge Fixer.

August 3rd, 2015: Structure Checker 15.8.3

API changes

July 6th, 2015: Structure Checker 15.7.6


  • Wedge Error Checker didn't detect non-stereo wiggly bonds.


  • Clean Wedge Fixer converts non-stereo wiggly bonds to single bonds.

June 22th, 2015: Structure Checker 15.6.22


  • Solvent Checker threw exception if input molecule couldn't be converted to SMILES format.

April 13th, 2015: Structure Checker 15.4.13

New features

January 26th, 2015: Structure Checker 15.1.26


  • Wedge Error Checker didn't always agree with Wedge Clean Fixer. From now on the molecules fixed by Wedge Clean Fixer are accepted as correct by Wedge Error Checker.

January 12th, 2015: Structure Checker 15.1.12


  • Aromaticity error fixing improvements: Dearomatize and Rearomatize fixers can fix aromaticity errors in heteroaromatic rings (containing only carbons and nitrogens) in unambiguous cases.



  • Bond Angle Checker did not accept some bond angles as correct. Bonds connected to a ring were affected.

January 5th, 2015: Structure Checker 15.1.5


  • From now on Rare Element Checker will not detect deuterium (D) and tritium (T) as rare element.

November 17th, 2014: Structure Checker 14.11.17


  • Chiral Flag Error Checker did not report invalid chiral flag on achiral molecules.

October 27th, 2014: Structure Checker 14.10.27

New features and Improvements

  • New checker: R-group Bridge Error Checker.

  • R-group Attachment Error Fixer improvements:

    • removes superfluous attachment points,

    • can fix errors in R-group definitions having multiple equivalent candidates for the addition or removal of the attachment point(s),

    • can fix structures containing contracted abbreviated groups,

    • can handle R-group bridges.

October 6th, 2014: Structure Checker 14.10.6


  • Circular R-group Reference Checker failed to identify some circular references

  • Missing R-group Checker did not identify unnumbered R-group as missing

July 21th, 2014: Structure Checker 14.7.21

New features and Improvements

  • OCR Error Checker was improved, now it identifies optical structure recognition errors better

  • "Discard OCR errors" option was removed from Structure Checker application and structurechecker command line application. Use OCR Error Checker.


  • Overlapping Bond Checker detected some non-overlapping bonds as overlapping [error report]

July 7th, 2014: Structure Checker 14.7.7

New features and Improvements

  • Less invasive fix of bond length errors and bond angle errors with newly introduced Bond Length Fixer and Bond Angle Fixer.

Please visit this page for History of changes relating older Marvin versions.