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 2022 CSD Portfolio Software and Data
… driven feedback if possible --Licensing can take the values of: NotNow to skip registration. Activation will need to be completed manually later …
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I'm trying to pack a unit cell and Mercury is running very slowly/freezing.
… changed, activate the Pack tick box. Mercury will display packing but only for the atoms whose coordinates are at or within the boundaries of the packing range …
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I do not want to publish my structure, can it still be included in the CSD?
… information on CSD Communications is available in the Community section of the site and more information on ICSD Communciations is available from the FIZ …
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What level of disorder needs to be present to trigger the disorder filter in the CSD?
… for certain parameters. The level of disorder referred to in this case is essentially any structure in which there are multiple sites for any non-hydrogen atom …
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Why is GOLD unable to dock a particular ligand?
… to dock if the binding site is too large or contains functionality that is not matched by equivalent functionality (donor, acceptor or hydrophobic) on the ligand …
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Has GOLD been validated?
… sets is available from the Downloads page. GOLD has also been validated for virtual screening performance using the DUD active/decoy sets, as detailed …
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How do I use GOLD to predict binding affinity?
… score and binding affinity tend to correlate with molecular weight to some extent. It is possible to develop Quantitative Structure Activity Relationships (QSAR …
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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 …
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 does the GOLD licensing system work?
- How should I reference GOLD?
- How do I sign into WebCSD and what are the benefits of signing in?
Newest Support Solutions
- "Cannot download archive" error when running the online installer
- Searches on macOS with cqbatch from the 2024.1 release may fail
- Documentation fails to open when launched from a CCDC application on linux
- How can I improve visualisation performance when running CCDC software over Remote Desktop Connection (RDP)?
- I am unable to set a file association (e.g. opening cif files with enCIFer) on Windows 11