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 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 2024 (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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What is a CIF?
… CIF (Crystallographic Information File) is a standard means of information interchange in crystallography, sponsored by the International Union …
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Can I customise enCIFer to check for the presence of specific data items, required by a particular journal publisher or crystallographic database?
… Yes, enCIFer can be used to check CIFs against a configurable mandatory data items file. Two files, recommended.cif and mandatory_rsc.cif, are provided …
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Does the CCDC accept Structure Factor data?
… of Crystallography (IUCr). Structure factors can be included with the data deposition, either appended to the CIF or in .FCF or .HKL format. Please note …
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Can I reduce the amount of output produced by GOLD?
… Yes. Select Output Options under Global Options in the GOLD Setup interface. From here it is possible to specify whether you want to keep the files listing …
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Can GOLD handle metals?
… protein atoms or water molecules in the original file so that GOLD can predict the coordination geometry. When the protein input file is prepared, the metal ion …
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ConQuest crashes with "Failed to execute script csds" error message
… There are several possible causes of this issue. Corrupted config files Often this is because ConQuest's configuration files have become corrupted and deleting …
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How do I set up IsoStar hyperlinking to my CSD database after installation?
… To enable hyperlinking if you were not able to enter the CSD database location during installation of the IsoStar server, you will need to edit the file …
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