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 do I obtain Mercury?
… to registered Cambridge Structural Database (CSD) software suite subscribers. The difference between free Mercury and full-licence Mercury is explained …
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My search has given fewer hits than I expected, what can I do about this?
… The number of hit fragments found that are structurally identical to the query fragment may, on occasion, not be sufficient. In such cases, Mogul can look …
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What happens to my data when I run checkCIF/PLATON during the deposition process?
… Your CIFs are sent to the IUCr’s checkCIF/PLATON service which returns checkCIF/PLATON reports for each structure you are depositing. Your CIF files are only …
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What input file format do I need for a Hydrogen Bond Propensity calculation?
… , XYZ or PDB format). In order to assess a known structure within the context of a hydrogen bonding landscape you will need to load into Mercury's visualiser …
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What is the best way of reducing the number of hits if a search gives more than I want?
… options such as 'Number of Bonded Atoms'). Alternatively, you can restrict the search to only the most experimentally precise structures, e.g. by setting an upper …
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Why do some of my results not appear when using Mercury?
… -to-date structures available. …
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Can I deposit large CIFs that include reflection data?
… at www.ccdc.cam.ac.uk/deposit. If the CIF you wish to upload exceeds 50MB then: If there are multiple structures and data_ values please split these up into individual files so …
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How can I classify the chirality at stereocentres in my structure using Mercury?
… structures visualised have bond types assigned. Any identified stereocentres are assessed using Cahn-Ingold-Prelog (CIP) priority rules (including special CIP …
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Authors’ names in the CSD: how to add them correctly? How to search for them?
… To provide easy access to each structure in the CSD for the benefit of our community, we need to make sure that the bibliographic information is correct …
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How can I tell where the CSD Editor is saving edits to my database?
… Any additional structures or updates of existing database entries are only added to your existing file once the CSD Editor session has been saved, when …
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