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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Why is a 2D chemical diagram not created for one of my structures during the deposition process?
… that fit the criteria for the CSD a chemical diagram for the structure will be created by our team of expert scientific editors during the validation process. …
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I'm trying to pack a unit cell and Mercury is running very slowly/freezing.
… by opening the Packing and Slicing dialogue via Calculate, Packing/Slicing, changing the Include atoms radio button to ...that Fit. Once this setting has been …
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What is the naming convention for ligand output files?
… the solution found in the first docking attempt. However, as GOLD proceeds, symbolic links are created, such that ranked__m#_1.mol2 will always point to the current top …
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Is it possible to perform blind docking using GOLD?
… of a binding site which is 20Å from a specified point or ligand. The only approach is to split the protein into multiple binding sites and carry out individual …
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When is inorganic data deposited at the CCDC transferred to the ICSD?
… Inorganic data is copied to FIZ Karlsruhe for inclusion into the ICSD at the point of publication. Once published, the data will become accessible through …
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How do I get Mercury to recognise that I have a version of the CSD database installed?
… the appropriate database files. In such a case, Mercury can be pointed to the correct location by using the CSD-Core -> Select Databases menu option. Mercury will also check …
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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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I have installed IsoStar as part of the CSD Portfolio. What does it do?
… interaction quickly allows you to understand what is the preferred geometry of interaction, whether the interaction is common or not (through the density of points …
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How can I deposit inorganic data into the ICSD?
… with a publication. At the point of publication your deposited data will be made publicly available through our Access Structures service. In addition organic and metal …
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How can I share a structure I have deposited?
… All structures deposited at the CCDC remain confidential until the point of publication. If you would like to share an unpublished structure with your co …
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