For questions not addressed by a support solution here, please email support@ccdc.cam.ac.uk. 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 should I reference VISTA or PreQuest?
… Retrieved from the CSD. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, England. PreQuest - A program for the validation of crystal structure …
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What is CSD-Discovery?
… CSD-Discovery provides valuable insights from high quality experimental crystal structure data in the CSD for computational and medicinal chemists …
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What is CSD-Xpedite?
… . This new architecture enables WebCSD, CCDC’s online crystal structure searching service, to have access to more up-to-the-minute data, with structures published …
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Which file formats does Mercury support?
… and exporting files. In addition, Mercury can read crystal structures from the following file types: cif, mol, mol2, pdb, res and sd format. It is also possible …
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I know that a particular crystal structure has been published, why is it not included in the latest release of the database?
… I know that a particular crystal structure has been published, why is it not included in the latest release of the database? …
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What happens to my data if the paper is rejected by the journal?
… or if you would prefer us to enter your structure into the Cambridge Structural Database (CSD) as a CSD Communication or the Inorganic Crystal Structure Database …
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Why does Mercury not generate an ESD for a particular bond length, angle, torsion or other measurement in my structure?
… full atomic coordinate ESDs.An example where this is highly relevant is a standard organic crystal structure where the atomic coordinates of the non-hydrogen …
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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?
… with the enCIFer distribution. recommended.cif contains a list of data items which are commonly required by journals which publish the results of crystal structure …
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How should I reference CSDSymmetry?
… CSDSymmetry: the definitive database of point group and space group symmetry relationships in small- molecule crystal structures J. W. Yao, J. C. Cole, E …
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Are there any tools available to help produce a CIF?
… the experimentally derived data present in the CSD to aid your crystal structure solution process or validate structures already output from structure solution packages …