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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How does the substructure search work in the CSD web interface (SMARTS)?
… The substructure search in the CSD web interface uses the sketcher to create a query in SMARTS format that is then used to search the CSD. This SMARTS format …
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Is there any way to permanently alter the default atomic radii of atoms?
… A). It is not possible, in any of the formats that Mercury reads, to change the radii or tolerances used in determining structural connectivity. …
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Which data items do I deposit?
… Structural Database. We recommend the inclusion of structure factors with the data deposition, either appended to the CIF or in .FCF or .HKL format. Structure …
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The ‘IUCr’ button in enCIFer no longer allows me to paste the location of a CIF into a file name box on the checkCIF web page
… instead, press the button "Browse..." or "Choose File..." then in the file dialog, paste into the file name box either by right clicking and choosing paste …
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How do I set up my browser to view IsoStar scatterplots?
… In order to view scatterplots via a Web browser there are two main steps. Configure your OS to open .istr files with isostar. Configure your browser to open …
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How should I name data_ values in the CIFs I am depositing?
… a unique data_ value. When submitting separate structure factor files please ensure the file names for the structure factor files and the data_ value …
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I use a local licence server and it fails approximately every two weeks with errors like"Unable to verify process lock!" in the log file
… The CCDC local licence server stores a lock file in /tmp and some operating systems such as CentOS and RedHat may have standard /tmp cleaning policies …
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I am trying to install the CSD Python API but encountered an UnsatisfiableError
… to be incompatible with each other: Output in format: Requested package -> Available versions The solution is to add the conda forge channel first then retry …
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What is the the Service Level Agreement for support of CCDC customers?
… for different types of queries for each of these tiers, can be downloaded here: Service Level Agreement 2023 (PDF Format) …
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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
… : errors=Problem reading initialisation file This issue is resolved in the 2023.3 release. To enable this to work with 2023.1 or 2023.2 releases, a workaround …
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