Structure Checker History of Changes

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

• A list of excluded atom labels can be specified for Pseudo Atom Checker.

November 9th, 2015: Structure Checker 15.11.9

Improvements, deprecations

• Wedge Error Checker was replaced by Incorrect Tetrahedral Stereo, Non-standard Wedge Scheme, and Non-stereo Wedge Bondcheckers.

• Wedge Error Checker is deprecated.

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](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

• New checker: Brackets Checker .

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.

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 .

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