T58-2025 - Notification Regarding the Release of BIOVIA Direct 2026

We are providing this Technical Note to inform you about the release of BIOVIA Direct 2026. It includes the following enhancements and fixed defects.

Program

BIOVIA Direct

Operating System

All supported operating systems

Description

We are providing this Technical Note to inform you about the release of BIOVIA Direct 2026. It includes the following enhancements and fixed defects.

Enhancements

This release of BIOVIA Direct includes the following enhancements.

 

User StoryDescription
DIR-4272The creation of SMILES from structures with enhanced stereo chemistry in BIOVIA Direct is now consistent with BIOVIA Draw and the Pipeline Pilot Chemistry collection.
DIR-4407The molimage() and rxnimage() operators and their respective functions mdlaux.molimag() and mdlaux.rxnimage() provide the new option 'ShowSequenceView'. When set to true, biological sequences in the molecule or reaction are rendered in the Sequence View.
DIR-4508Long names have been added to HELM monomers to be consistent with original Pistoia library.
DIR-4512The new Direct operator logp() and function mdlaux.logp() calculate the log P value of a molecule.
DIR-4513The new Direct operator hbonddonors() and function mdlaux.hbonddonors() calculate the number of hydrogen donor atoms of a molecule.
DIR-4514The new Direct operator hbondacceptors() and function mdlaux.hbondacceptors() calculate the number of hydrogen acceptor atoms of a molecule.
DIR-4515The new Direct operator numlipinskiviolations() and function mdlaux.numlipinskiviolations() calculate the number of Rule of Five violations of a molecule.
DIR-4516The new Direct operator logd() and function mdlaux.logd() calculate the log D value of a molecule at a given pH value.
DIR-4517The new Direct operator logs() and function mdlaux.logs() calculate the water solubility value log S of a molecule. The operator and function provide the options to calculate the value based on the 'estate' or the 'qikprop' model.
DIR-4518The new Direct operator pka() and function mdlaux.pka() calculate the pKa value of a molecule. pKa values can be calculated for the acidic and basic sites of a molecule.
DIR-4519The new Direct operator tpsa() and function mdlaux.tpsa() calculate the Topological Polar Surface Area value of a molecule.
DIR-4520The new Direct operator fsp3() and function mdlaux.fsp3() calculate the Drug Likeness (Fsp3)  value of a molecule.
DIR-4521The new Direct operator heavyatomcount() and function mdlaux.heavyatomcount() calculate the number of heavy (non-hydrogen) atoms of a molecule.
DIR-4522The new Direct operator rotatablebonds() and function mdlaux.rotatablebonds() calculate the  number of rotatable bonds of a molecule.

 

 

Fixed Defects

This release of BIOVIA Direct includes the following fixed defects.

 

DefectDescription
DIR-4490The enhanced axial stereochemistry of allene structures is now considered in flexmatch searches.
DIR-4492The enhanced axial stereochemistry of allene structures is now considered in substructure searches. Please also see the release note on DIR-4559.
DIR-4489The enhanced axial stereochemistry of allene structures is now considered in flexmatch searches.
DIR-4475The Direct documentation no longer contains references to the removed 'lib' directory.
DIR-4503The DCSAMPLES.DMP dump file no longer includes index data of specific Direct versions.

 

Resolution                                                                    

BIOVIA Direct 2026 was released on 28-NOV-2025 and is available for download at https://software.3ds.com under BIOVIA products and can be found under:

Product line: Lab, Scientific and Content Solutions

Release: BIOVIA 2026

Level: BIOVIA 2026 Golden

Fixes for this level: N/A

How to contact BIOVIA Support

If you have any questions, please contact BIOVIA Support.

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