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 produce high-resolution, high-impact images using Mercury?
… on Render.Recommended settings for high quality images are images dimensions of width 1024 pixels by height 768 pixels or higher and a file format of PNG …
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What are the criteria for deposition to the CCDC?
… (CSD) and the Inorganic Crystal Structure Database (ICSD). Accepted file formats Files should be in CIF, FCF or HKL format and may be included in a ZIP file …
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How do I define my active site?
… containing a list of residues When using a list of residues to define the binding site the file must be in the following format: > HIS69 ARG71 GLU72 ARG127 ASN144 …
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How do I obtain further information relating to CIF data items?
… in a separate Dictionary Definition Language (DDL). enCIFer is able to load dictionaries which conform to the DLL1.4.1 format (referred to as DDL1) including …
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ConQuest searches on Windows fail to get past 0%
… The search engine for ConQuest needs to convert "long" directory names totheir dos 8.3 format in order to work with them. Sometimes this system can go wrong …
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How can I publish my historic structures or thesis structures?
… . To do this please email deposit@ccdc.cam.ac.uk and attach any files you have. These may include .res or .ins files, and/or the crystallographic tables including …
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Which other formats are accepted if I don’t have a CIF?
… If a CIF is not available, please contact deposit@ccdc.cam.ac.uk to discuss other possible formats. However, most major journals now require cifs …
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Using old in-house databases with the latest CSD Portfolio
… The 2019 CSD Portfolio release saw us move to use of a new database format, .sqlite. For those with legacy ASER format databases (.ind, .msk, .tcd), or .sqlite …
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Can I output temperature factors from Mercury?
… Currently, temperature factors (Uequiv and Uij for CIFs/res files, ANISOU records for PDB files) are written only to SHELX res and PDB files from Mercury …
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How can I deposit large CIF files?
… CIF files up to 50MB in size can be deposited directly using the online deposition service available here. If the CIF you wish to upload exceeds 50MB …
Top Support Solutions
Newest Support Solutions
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