FAQs
For questions not addressed by a support solution here, please Contact Us. Please do include a description of the problem as well as your operating system and version.
What can we help you with?
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Is it possible to re-score a given set of GOLD solutions using an alternative scoring function?
… packages in this manner. Please refer to the GOLD user manual for further information. …
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My search has given fewer hits than I expected, what can I do about this?
… to the query (if these exist). For further information on performing generalised searches, please refer to the Mogul User Guide. …
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Using the ligand overlay functionality in Hermes 2023.1 or 2023.2 on Linux fails with an error about reading the initialisation file
… is to set CCDC_MOGUL_INITIALISATION_FILE to the mogul.ini file in your Hermes installation, e.g. export CCDC_MOGUL_INITIALISATION_FILE=/home/user/CCDC/ccdc …
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Why is my search taking so long?
… on configuring searches, please refer to the Mogul User Guide. …
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I am unable to set a file association (e.g. opening cif files with enCIFer) on Windows 11
… . For the example of associating cif files with enCIFer the keys to delete are Computer\HKEY_CLASSES_ROOT\.cifComputer\HKEY_CURRENT_USER\Software\Classes …
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Create your own offline installer for the free version of Mercury
… , in this case /local/myinstall -c confirms the process will continue with no user input --accept-licenses accepts the user licence for the installer Once …
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End of support for holders of perpetual licences for GOLD versions 5.3 and earlier
… of GOLD are now at least 10 years old and we no longer have the facilities to generate licences for these old versions of the GOLD software. For many users …
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How can I automate the CSD Portfolio installation process
… uk.ac.cam.ccdc --root sets the root installation folder, in this case /local/myinstall -c confirms the start of the installation with no user input --accept-licenses accepts …
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How do I set up a local CCDC software and data repository?
… repository to check for updates so can be used to control when you make updates available to users. To set up a local repository, follow these instructions …
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I have updated to CSD Portfolio 2023.1 and now the CSD Python API fails to find the software or data
… as a temporary fix e.g. setx CCDC_TOOLKIT_SQLITE_DATABASE "C:\Users\Username\CCDC\ccdc-data\csd\as544be_ASER.sqlite" setx CCDC_LOCAL_CSD_SQLITE_ASER_FILES "C:\Users …
Top Support Solutions
Newest Support Solutions
- I am unable to set a file association (e.g. opening cif files with enCIFer) on Windows 11
- I installed the CSD Portfolio with the Windows offline installer and the software is complaining that it can't find the data
- Running python scripts from the 2023.3 versions of Mercury or Hermes may not display output correctly on linux
- Uninstallation options for the 2023 CSD Portfolio
- Not enough disk space error while trying to install the software