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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Is it possible to re-score a given set of GOLD solutions using an alternative scoring function?
… Yes, using the Rescore solutions tick box in the Fitness & Search Options section under Global Options when using the GOLD Setup GUI. Rescoring, like docking …
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What data format is available for download from the Access Structures service?
… The free Access Structures service offers downloads in a CIF file format. A successful search (using either the deposition number, DOI of the journal article …
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What is CSD-Theory?
… CSD-Theory brings clarity to your crystal structure prediction landscapes. Search, display and analyse your landscapes to spark new insights and advance your …
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I’ve found a structure in a paper that I would like to obtain data for, but I can’t find a deposition number - what do I do?
… You may search for data from us by entering the DOI of the publication if you do not know the deposition numbers of the structures you wish to request. To do …
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Is it possible to include any additional probe groups?
… not be present due to a number of reasons: The search has not been done. The search has been done, but there is no information (e.g. for RNH3+ probes). The probe …
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What is the z-score listed in the summary statistics for each 3D bond and valence angle search result?
… What is the z-score listed in the summary statistics for each 3D bond and valence angle search result? …
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What is a Reduced Cell Check and what should I do if the structure I am depositing has hits?
… When depositing a structure at the CCDC using the online deposition process, a search will be run on your structures to compare the unit cell dimensions …
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One of my structures isn’t listed on ‘My Structures’ what should I do?
… . To do this you will need to sign-in (or register) at: https://www.ccdc.cam.ac.uk/deposit/mystructures Once you have signed in you can search for the deposition …
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How do I select multiple elements for a query atom in a WebCSD substructure search?
… (for example a carbon), that is a standard substructure search. Once the atom is placed that you would like to allow be one of multiple elements, you can change …
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Why has my substructure search given fewer hits than I expected?
… distinctive that the Any bond type can be used, at least for initial searches. Alternatively, perhaps you've drawn a different tautomeric form to the authors …
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