Structure Checker History of Changes

    May 4th, 2023: Structure Checker 23.7.0

    Improvements

    • Atom Query Property Checker was extended with an option to detect and remove Recursive SMARTS (SMARTS query)
    • New Bond Topology Checker with Remove Bond Topology fixer has been added

    Bugfixes

    • Attached Data fixer did not remove Attached Data in case of multiple instances

    April 5th, 2023: Structure Checker 23.5.0

    No changes.

    March 10th, 2023: Structure Checker 23.4.0

    No changes.

    February 23th, 2023: Structure Checker 23.3.0

    No changes.

    February 8th, 2023: Structure Checker 23.2.0

    No changes.

    January 25th, 2023: Structure Checker 23.1.0

    Improvements

    • Java 17 runtime compatibility is supported.

    December 13th, 2022: Structure Checker 22.22.0

    No changes.

    December 1st, 2022: Structure Checker 22.21.0

    No changes.

    November 24th, 2022: Structure Checker 22.20.0

    Improvements

    • Works with Java 17 as well.

    October 27th, 2022: Structure Checker 22.19.0

    Bugfixes

    • CVE-2022-42889 commons-text vulnerability has been fixed.

    September 27th 2022: Structure Checker 22.18.0

    No changes.

    LTS Release - January 19th, 2023: Structure Checker 22.17.4 (Lithium.4)

    No changes.

    LTS Release - November 29th, 2022: Structure Checker 22.17.3 (Lithium.3)

    No changes.

    LTS Release - November 9th, 2022: Structure Checker 22.17.2 (Lithium.2)

    Bugfixes

    • CVE-2022-42889 commons-text vulnerability has been fixed.

    LTS Release - October 19th, 2022: Structure Checker 22.17.1 (Lithium.1)

    No changes.

    December 22nd, 2021: Structure Checker 21.20.0

    Improvement

    • Partial Clean has been added to the Overlapping Atom Checker as a new fixer option

    July 16th, 2021: Structure Checker 21.12.0

    Improvement

    • Attached Data Checker was extended to accept a list of Attached Data names (or regex) to be excluded from the checking process

    May 22nd, 2020: Structure Checker 20.13.0

    Improvement

    • Valence error checker was extended to allow traditional pentavalent Nitrogen representation for azides.

    LTS Release - March 30th, 2020: 20.9.0 Structure Checker (Fermium.1)

    No changes

    LTS Release - October 18th, 2019: 19.21.1 Structure Checker (Europium.1)

    No changes

    LTS Release - April 11th, 2019: 19.7.1 Structure Checker (Deuterium.1)

    No changes

    October 9th, 2018: Structure Checker 18.24.0

    Bugfixes

    • Pipe errors of Structure Checker

    LTS Release - September 25th, 2018: 18.22.1 Structure Checker (Carbon.1)

    No changes

    February 13th, 2018: Structure Checker 18.4.0

    Bugfixes

    • Command Line Interface problem: Only the user interface can be started from command prompt.

    August 1st, 2017: Structure Checker 17.18.0

    Bugfixes

    • Overlapping Atom Checker does not detect those atoms which are just too close but actually do not overlap.

    October 3rd, 2016: Structure Checker 16.10.3

    Bugfixes

    • Multicenter Checker will not detect the endpoint of a position variation bond as multicenter.

    September 26th, 2016: Structure Checker 16.9.26

    Improvements

    November 9th, 2015: Structure Checker 15.11.9

    Improvements, deprecations

    August 24th, 2015: Structure Checker 15.8.24

    Improvements

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

    August 3rd, 2015: Structure Checker 15.8.3

    API changes

    • chemaxon.checkers.runner.BasicCheckerRunner was removed from the public API. Use [AdvancedCheckerRunner](instant-jchem_advanced-structure-checker-button.md).

    July 6th, 2015: Structure Checker 15.7.6

    Bugfixes

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

    Improvements

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

    June 22th, 2015: Structure Checker 15.6.22

    Bugfixes

    • 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

    Bugfixes

    • 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

    Improvements

    • Aromaticity error fixing improvements: Dearomatize and Rearomatize fixers can fix aromaticity errors in heteroaromatic rings (containing only carbons and nitrogens) in unambiguous cases. images/download/attachments/1805900/dearomatize_fixer_improvements.png

    Bugfixes

    • 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

    Bugfixes

    • 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

    Bugfixes

    • 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

    Bugfixes

    • 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.

    Bugfixes

    • 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.