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 select multiple elements for a query atom in a WebCSD substructure search?
… . If your search includes more than one combination of elements they will be displayed as QA, QB and so on - again, hovering over an atom will show what elements …
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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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How many MOFs are there in the CSD?
… on a simple search consisting of a transition metal bonded to an oxygen or nitrogen via a polymeric bond. This obtains 98,218 MOF structures (around 8 …
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How does the similarity search work?
… The similarity search in WebCSD is based on molecular fingerprints that are calculated using the chemical features of the molecule such as atom types, bond …
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Which file formats does Mercury support?
… ) Searches and lists Refcode list (.gcd) ConQuest hits (.c2m) Motif searches (.msxml) Generated motifs (.gmxml) Motifs (.mxml) Data and analysis CSD-format …
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ConQuest is unable to export PDF files on Windows
… ConQuest 2020.1 is unable to export search details in PDF format on Windows. Doing so will produce a python traceback ending with text similar to: File …
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How can I find crystal structures analysed at high pressure in the CSD?
… the deposited CIF. CSD entries at high pressures can be therefore be found using ConQuest by performing an All Text search with 'Pressure' as a Required Field (from …
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Why do I get a pop up window when starting ConQuest that says "Some Anti-Virus Software stop ConQuest from starting its search engine..."?
… not find this folder and files in the locations indicated above. Please search for them and delete them.]This should remove all traces of your ConQuest preferences …
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How long does it take for CSD Communications and structures published in associated scientific articles to be curated?
… established automatic workflows with all the major publishers and we manually search additional journals on a regular basis using third party indexing …
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I'm using the porphyrin template provided with ConQuest as part of my substructure but the search seems to be missing hits I know are there: what is going on?
… I'm using the porphyrin template provided with ConQuest as part of my substructure but the search seems to be missing hits I know are there: what is going on? …
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