Dec 08 2021

T120-2021 Notification regarding BIOVIA COSMOconf 2022

BIOVIA COSMOconf

Technical Note T120-2021

December 2021

 

Notification regarding BIOVIA COSMOconf 2022

Program

BIOVIA COSMOconf

Operating System

Windows 10 Pro (64-bit only)

Windows 10 Enterprise (64-bit only)

Red Hat® Enterprise Linux® 8.1+ (64-bit only)

Red Hat® Enterprise Linux® 7.5+ (64-bit only)

CentOS 7.5+ (64-bit only)

Mac OS 10.14+ (64-bit only)

Description

We are providing this Technical Note to inform you about the release of BIOVIA COSMOconf 2022 which includes the following enhancements and fixed defects:

Enhancements

This release of BIOVIA COSMOconf includes the following enhancements.

User Story

Description

SOLCHEM-347

A new check of the Materials Studio installation (needed for DMol3 calculations only) on remote systems has been added

SOLCHEM-512

The file type of xyz input conformers was not displayed correctly. This issue has been fixed.

SOLCHEM-529

The remote job status handling of COSMOthermX and COSMOconfX was modified to ensure that the "Retry login" option is also working if the connection to the remote machine was interrupted. In addition, a broken connection is flagged and indicated by an icon. The "Retry login" option can be applied after the secure connection to the remote machine is reestablished.

SOLCHEM-588

The Materials Studio Studio path, which is needed for the DMol3 calculations, has been adjusted. The installation path of Materials Studio needs to be given now.

SOLCHEM-589

The User Interface Java version was updated from AdoptOpenJDK 8 to AdoptOpenJDK11.

SOLCHEMC-100

The COSMOconf component of the BIOVIA Pipeline Pilot Solvation Chemistry collection now supports DMol3 quantum chemistry calculations utilizing the DMol3 Quantum Mechanics from BIOVIA Materials Studio and the BIOVIA Pipeline Pilot Materials collection.

Fixed Defects

This release of BIOVIA COSMOconf includes the following fixed defects.

User Story

Description

SOLCHEM-407

Fixed issue related to COSMOconf not starting up and displaying error messages in a few rare cases related to remote job submission

SOLCHEM-432

When a .xml file with a structure was used as input file for a cosmoconf.pl file, the structure name is not added to the .cosmo files. This issue is fixed now.

Resolution                                                                         

BIOVIA COSMOconf 2022 was released in December 2021 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 2022

Level: BIOVIA 2022 Golden

How to contact BIOVIA Support

If you have any questions, please contact BIOVIA Support.