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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I reformatted my hard drive / changed something in my computer and now ConQuest/Mogul/registered Mercury* features doesn't/don't work
… *Some of the advanced features of Mercury require activation, which is only possible for CSD software suite subscribers. The CSD software suite licensing …
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What data format is available for download from the Access Structures service?
… the conditions of use to activate the download feature. Once you complete this first time verification step, you may select the "Download" button to download …
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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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Crystallisability and solvate prediction scripts not working in 2024.2 release
… owing to a bug. As a workaround, you can edit the file CCDC\ccdc-software\csd-python-api\miniconda\Lib\site-packages\xgboost\compat.py. Add the following code …
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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 …
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
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- 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…”
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- "Invalid window handle" error when using the CSD Python API on Windows