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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Installation of the 2023 and later CSD Portfolio Software and Data
… to install individual components, run ./CSDInstallerOnline-linux search You can activate the software from the command line after installation e.g. /ccdc-utilities …
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Using the CSD Python API on a system that has no display
… Some aspects of the CSD Python API require an active display to be present, and by default the API will require a display to be present when importing the ccdc …
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Does GOLD allow for protein flexibility?
… . The starting positions of Ser, Thr and Tyr OH groups and Lys NH3+ groups therefore do not matter. In cases where you are docking a ligand into a binding site …
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Is it possible to include any additional probe groups?
… useful probes to start exploring a binding site are usually: Alcohol Oxygen: the hydroxyl group can both donate and accept hydrogen bonds, so favorable spots …
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Create your own offline installer for the free version of Mercury
… the installer has been created, you can run it by either double-clicking or running the installer from the command line. You can activate the software as described …
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Is there a way to change the colour and size of the H-bonds?
… . Note: existing settings are not propagated if, for example, the Packing tick box is activated. …
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Updating an existing local licence server after renewing your licence
… the following command from the local licence server installation folder to activate the server with the new key, using your licence server key instead …
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What is a Reduced Cell Check and what should I do if the structure I am depositing has hits?
… of previously published structures can provide valuable information to researchers, and the CCDC actively encourages the deposition of all crystal data. …
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How can I run GOLD in parallel?
… , on an HPC compute cluster managed by Slurm. The GOLD Cluster tool and its User Guide are available to customers via our Downloads site under 'CSD-Discovery > GOLD …
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How can I calculate a score per binding site residue?
… How can I calculate a score per binding site residue? …
Top Support Solutions
- CSD Portfolio software suites requirements and supported platforms
- What is the difference between the GoldScore, ChemScore, ASP and ChemPLP scoring functions provided with GOLD?
- How do I sign into WebCSD and what are the benefits of signing in?
- How does the GOLD licensing system work?
- How should I reference GOLD?
Newest Support Solutions
- CSD Python API not working on RHEL 9
- ConQuest fails with "ValueError: No JSON object could be decoded" on RHEL 8
- I am trying to activate the free version of Mercury, but the Software Activation Tool says “A valid activation has been detected…”
- How do I ensure I get the best performance from CSD-CrossMiner?
- "Invalid window handle" error when using the CSD Python API on Windows