T100-2024 Notification regarding BIOVIA Pipeline Pilot Chemistry SDK 2025
Program
BIOVIA Pipeline Pilot Chemistry SDK
Operating System
All supported operating systems
Description
We are providing this Technical Note to inform you about the release of BIOVIA Pipeline Pilot Chemistry SDK 2025 which includes the following enhancements and fixed defects:
Enhancements
This release of BIOVIA Pipeline Pilot Chemistry SDK includes the following enhancements.
| Description | Areas Affected | Risk Level | Jira Issue ID |
|---|---|---|---|
| An SCSRUtils class was added to the Pipeline Pilot Chemistry Python and Java SDK. | PCHE: PPChemAPI | Low | PCHE-9425 |
| A new method SetCTABReaderMaxNumberAtoms(int maxNumberAtoms) is now in the MolIO Class in PPChemSDK to set the maximum allowed number of atoms when reading the V3000 mol file. | PCHE: PPChemAPI | Low | PCHE-9433 |
| A new method SetMaxNumberOfAtoms(int maxNumberOfAtoms) is now on the ExpandSCSRTemplates Class in PPChemSDK to set the maximum allowed number of atoms when expanding a SCSR sequence. | PCHE: Molecular API | Low | PCHE-9434 |
| The system now checks that the number of atoms in the input molecule is smaller than a specified maximum, before proceeding with the tautomer enumeration. | PCHE: Enumeration | Low | PCHE-9436 |
| The system requirements for the Pipeline Pilot Chemistry SDK are now documented in a separate guide. | PCHE: Documentation | Medium | PCHE-9546 |
Fixed Defects
This release of BIOVIA Pipeline Pilot Chemistry SDK includes the following fixed defects.
| Severity | Description | Areas Affected | Risk | Defect |
| Major | The conversion of granular RNA SCSR representation to HELM strings now avoids using SMILES to represent granular nucleotides that are missing a base because the sugar has only two attachment points to phosphates. | PCHE: Biologics, PCHE: File Formats | Low | PCHE-9246 |
| Major | An option to determine bad stereo using either IUPAC convention or BIOVIA chemical representation now exists. The default is the BIOVIA chemical representation. | PCHE: Chemical Perception, PCHE: Molecular API | Low | PCHE-9452 |
| Minor | The Pipeline Pilot Chemistry SDK now performs as expected when reading invalid SMILES strings. | PCHE: Molecular API, PCHE: PPChemAPI | Low | PCHE-9495 |
Resolution
BIOVIA Pipeline Pilot Chemistry SDK 2025 was released in November 2024 and is available for download at https://software.3ds.com under BIOVIA products:
Product line: Lab, Scientific and Content Solutions
Release: BIOVIA 2025
Level: BIOVIA 2025 Golden
Fixes for this level: -
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If you have any questions, please contact BIOVIA Support.
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