Partner Modules

The products in this category were developed with partner companies and are marketed by OpenEye, Cadence Molecular Systems.

The Gaussian Module

• Gaussian Documentation
  • Gaussian Floe Tutorials
    • Introduction
    • Gaussian QM Conformer Ensemble Tutorial
    • Gaussian QM Torsion Scan Tutorial
    • Gaussian QM Run Input Files Successful Calculation
    • Gaussian QM Run Input Files Failed Calculation
    • Gaussian QM Single-Point Energy Tutorial
    • Gaussian QM Geometry Optimization Tutorial
  • Frequently Asked Questions
    • When should hardware requirements be changed?
    • How should hardware metrics be checked in QM calculations?
    • How much will a Floe cost?
    • What method and basis set should be used?
    • How can Gaussian log files be used to understand failures?
    • Why are there multiple serial cubes for running input files?
    • How do you create datasets on Orion?
    • Why are my calculations failing due to the presence of implicit hydrogens?
    • How do you rerun a Gaussian calculation from a checkpoint file?
    • Can GPUs be used with Gaussian on Orion?
    • How should files for the Run Gaussian Input File Floe be created and organized?
    • Why did the Gaussian input file change after running on Orion?
    • What should you know before running a large calculation with a Gaussian input file?
  • OpenEye Gaussian QM Floes - Documentation
    • Gaussian QM Conformer Ensemble
    • Gaussian QM Fragmentation and Torsion Scan
    • Gaussian QM Geometry Optimization
    • Gaussian QM Parallel Run Input Files
    • Gaussian QM Run Input Files
    • Gaussian QM SMARTS Torsion Scan
    • Gaussian QM Single Point Energy
    • Gaussian QM UI Torsion Scan
  • Legacy Release Notes
    • v0.5.0 July 2024
    • v0.4.0 July 2023
    • v0.3.3 December 2022
    • v0.2.0 (Orion Release 2022.2)
    • v0.1.0 (Orion Release 2022.1)
• Format Conversion
  • Orion ETL Floes - Documentation
    • Archive Import
    • Dataset Copy
    • Dataset to Collection Export
    • Dataset to File Export
    • Dataset to Record File Export
    • File to Dataset Import
    • Record Collection to Dataset Import
    • Record File to Dataset Import
    • URL to File Import
  • Legacy Release Notes
    • v6.3.0 August 2024
    • v6.3.1 September 2024
    • v6.3.0 August 2024
    • v6.2.0 June 2024
    • v6.1.2 February 2024
    • v6.0.0 September 2023
    • v2.3.0 July 2023
    • v2.1.3 February 2023
    • v2.1.2 November 2022
    • v2.1.1 September 2022
    • v2.1.0 July 2022
    • v2.0.2 February 2022
    • v2.0.1 December 2021
    • v2.0.0 November 2021
    • v1.2.9 November 2021
    • v1.2.8 October 2021
    • v1.2.7 October 2021
    • v1.2.6 June 2021
    • v1.2.5 June 2021
    • v1.2.4 November 2020
    • v1.2.3 August 2020
    • v1.2.2 April 2020
    • v1.2.1 March 2020
    • v1.2.0 February 2020
    • v1.1.1 October 2019
    • v1.1.0 August 2019
    • v1.0.0 July 2019
    • v0.1.29 April 2019
    • v0.1.28 February 2019
    • v0.1.27 February 2019
    • v0.1.26 February 2019
    • v0.1.25 January 2019
    • v0.1.24 December 2018
    • v0.1.23 November 2018
    • v0.1.22 November 2018
    • v0.1.21 October 2018
    • v0.1.20 October 2018
    • v0.1.19 October 2018
    • v0.1.18 September 2018
    • v0.1.17 September 2018
    • v0.1.16 September 2018
    • v0.1.15 September 2018
    • v0.1.14 September 2018
  • Format Conversion (ETL) Floes Release Notes
    • v6.3.1 September 2024

CCDC GOLD Module

Orion GOLD User Guide