T178-2023 Notification regarding BIOVIA Pipette Sketcher API 2023

Description

Areas Affected

Risk Level

Jira Issue ID

Improved the 2D layout of molecules with Markush bonds and Haptic bonds.

PCHE: Chemistry Depiction, PCHE: Pipette

Low

PCHE-6862

Added a new component, HELM to PNG, as a prototype to allow server-side generation of Pipette Biosketcher monomer view images. 

PCHE: Biologics, PCHE: Chemistry Depiction

Low

PCHE-7896

Added support for "No Structure" (empty molecules).

PCHE: Pipette

Low

PCHE-8407

Added support for data sgroups for atoms, bonds, and repeat units. 

PCHE: Pipette

Low

PCHE-8408

Pipette Monomer Review now allows you to create Ribose derivatives with R4 groups.

PCHE: Pipette

Low

PCHE-8416

You can now specify axial stereochemistry.

PCHE: Chemical Perception

Low

PCHE-8417

Sketching and positioning of salt fragments is improved in molecules and reactions. 

PCHE: Pipette

Low

PCHE-8501

You can now enter a sequence in the form of a string with residue letters.

PCHE: Biologics, PCHE: Pipette

Low

PCHE-8520

Improved salt depiction by stacking vertically to optimize use of space.

PCHE: Pipette

Low

PCHE-8542

Improved Pipette Biosketcher sequence view to show reaction components horizontally instead of vertically.

PCHE: Biologics

Low

PCHE-8543

Added support for pasting reaction RXN files with sequences represented by Full CTAB expanded residues.

PCHE: Pipette

Low

PCHE-8545

Added full ctab molfile support to the Pipette Biosketcher when using SCSR monomers.

PCHE: Pipette

Low

PCHE-8546

Additional features and fixes:

·         Support data sgroups for atoms, bonds and repeat units.

·         Fixed editing the chemistry of a FullCTAB monomer.

·         Info dialog for a FullCTAB monomer shows a chemistry image.

·         Ensure SCSR FullCTAB with a monomer attached to an abbreviation is shown correctly.

·         Ensure all R3-R3 connections are shown in the sequence view for reactions.

·         Improved appearance of FullCTAB files from Draw when they do not contain a SEQID.

·         Properties can now be removed in the add step dialog.

·         Ensure SCSR for RNA with complimentary strands is always written correctly.

PCHE: Pipette

Low

PCHE-8719

Severity

Description

Areas Affected

Risk

Defect

Major

Improved depiction of a linker between two peptides in some circumstances.

PCHE: Pipette

1 (Low)

PCHE-8656

Major

Fixed an issue where haptic bonds in reactions did not work correctly.

PCHE: Chemical Perception, PCHE: Chemistry Depiction, PCHE: PPChemAPI

1 (Low)

PCHE-8716

Minor

Fixed the depiction of Markush bonds in brackets, and variable repeat units. The round brackets are converted to square brackets.

PCHE: Chemistry Depiction

1 (Low)

PCHE-6148

Minor

Improved rendering and layout of molecules and reactions with haptic systems.

PCHE: Chemical Perception, PCHE: Chemistry Depiction, PCHE: PPChemAPI

1 (Low)

PCHE-7778

Minor

Pipette Sketcher no longer allows adding enhanced stereochemistry labels to a tetrahedral stereo center that is (only) marked with a single either bond.

PCHE: Pipette

1 (Low)

PCHE-8587