Data Sources Page

Note

With the deprecation of FastROCS and MaaS on February 12, 2025, Macro Molecules will replace Data Sources on the Orion UI. The documentation will reflect these changes. The Macro Molecules page will include only MMDS.

Orion typically has connected to web services, such as FastROCS®, MaaS, and MMDS, to transfer molecules and protein structures to Orion and to search molecular databases containing billions of molecules.

Molecule Search now provides a more functional workflow for ultrafast, streamlined searches of large databases. It offers the same capabilities as MaaS and FastROCS in one convenient tool. It also provides easy transfer of structures to Orion.

MacroMolecular Data Service (MMDS) is a protein structure repository that allows the transfer of molecules and protein structures to Orion. MMDS remains fully available to Orion users.

MMDS offers access to project structures, as well as structures from corporate collections or the PDB, each prepared by the Spruce function of Orion. If electron density is present, structures can be analyzed for quality by the Iridium criteria. Visualization of structures, ligand interactions, active site density, and crystal and biological unit partners are provided. Selected structures can be retrieved as datasets for use in docking or structure-based design.

• For managed service customers, the documentation transition depends on whether MaaS or FastROCS services are in use:

  • Customers with MaaS or FastROCS will have the same Sources page. These services are deprecated.

  • Customers with MMDS only will have the new Macro Molecules page.

  • Customers without MMDS, MaaS, or FastROCS will not have a page for data sources.

MaaS and FastROCS on Request

Customers with access to MaaS and FastROCS may request these facilities be turned off once they have migrated to Molecule Search.