DSC-35829

Perl is updated to version 5.36.0. For information relating to changes in the Perl language, see https://www.perl.org/.

DSC-35877

You can now color the backbone of nucleic acid chains by residue in the Discovery Studio client Graphics View.

DSC-36569

The pharmacophores theory help now includes a topic that provides details about shape scoring and pharmacophore feature properties.

DSC-36583

The Dynamics (Production), Dynamics (NAMD), GaMD Equilibration, and GaMD Production protocols are updated to include improved parameter validation, and a modification to the time step parameters to narrow choices to discrete increments within a specific range.

DSC-36598

Discovery Studio requires an installation of Pipeline Pilot 2024. See the Discovery Studio Installation Guide for details.

DSC-36686

Improved help text for Use Secondary Structure parameter in Align Sequence Profiles (Align 123) protocol and added error handling if there is no proper secondary structure input provided when either DSC or TRANSMEM secondary structure is selected for alignment.

DSC-36688

The following example protocols are no longer accessible from the Protocol Explorer in the Discovery Studio client: Update Antibody Database, Download BLAST DB Files, Update BLAST Databases, Build PDB ReferenceData, and Customize Discovery Studio Template. However, they are accessible from Pipeline Pilot Professional Client.

DSC-36728

The version of Intel MPI has been updated to 2021.10.

DSC-36744

Qt Windows libraries are updated to version 5.15.14 to address security vulnerabilities.

DSC-36841

The PharmaDB Profiler protocol now reports mapping details for every unique function, and the PharmaDB Filter protocol now supports filtering using pdb_id and scpdb_id.

DSC-36957

The Dock Proteins (ZDOCK) protocol no longer fails on Windows when the Platform parameter is set to GPU.

DSC-26659

The Create 3D Fingerprints protocol no longer fails after modifying the Tolerance parameter from the default value.

DSC-36278

The Dynamics (Production) and Dynamics (Equilibration) protocols no longer fail when run from the Pipeline Pilot Professional Client using a restart file specified as a shortcut path.

DSC-36731

The Assign Forcefield protocol no longer generates incorrect atom ordering for atoms with 2-letter element symbols in the corresponding forcefield RTF.

DSC-36746

The Assign Forcefield protocol now updates the structure with the forcefield data.

DSC-36748

The PDB Ligand Bond Orders script in the Discovery Studio client now works correctly.

DSC-36759

The Measure Trajectory Features, Estimate Free Energy Landscape, and Cluster Conformations protocols now raise an error if the superposing algorithm fails to converge. If a failure is encountered, modifying atom selections or the reference conformation can resolve this error.

DSC-36833

The Job Description parameter is removed from the Assign Forcefield and Type Ligands with MATCH protocols. This does not affect the functionality of the protocols.

DSC-36856

The Predict Humanizing Mutations protocol now includes the name of the Query Sequence in the final message.

DSC-36990

An entry in the What's New topic and Product Release Document for 2023 SP1 incorrectly stated the number of residues in the latest updated residue database that the RCSB Structure Search protocol uses. The related entry in the Previous Releases section was fixed to indicate the correct number, 40,322.

DSC-37101

The ability to import protocols in the Discovery Studio client is removed to address a security vulnerability. You can use Pipeline Pilot Professional Client to import protocols to the server.

DSC-37106

The Perl scripting example code, MarkSideChainConformationViolations, now runs as expected on the Discovery Studio client on Linux.

DSC-35930

After restarting a simulation, the Dynamics (Production) protocol now reports the progress correctly.

DSC-36760

In the MSLD Bias Optimization and Production protocol, you can now set the Number of Cores per Simulation parameter to 1 when the Use BLaDE parameter is set to False.

DSC-36778

The Discovery Studio client PDB Ligands default site definitions in the Open URL dialog are no longer supported by RCSB and are removed from the default URL Location preferences. However, this option may still appear if preferences have been imported from an earlier release of Discovery Studio. You can remove them in the Edit > Preferences >Files Explorer > URL Location page.

DSC-36780

The Discovery Studio client now displays the Enhanced Sampling tool panel as expected.

DSC-36796

A label is now displayed for dipole moment monitors on macromolecules in the Discovery Studio client.