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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GOLD fails to recognise the metal in my metal-containing enzyme
… GOLD has parameters for a number of metals found in proteins but only the following metals are included: Mg, Zn, Mn, Fe, Ca, Co, Gd, Cu, Hg, Cd, Ni and V …
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Can GOLD handle metals?
… Yes. GOLD can automatically handle the following metals: Mg, Zn, Mn, Fe, Ca, Co, Gd, Cu, Hg, Cd, Ni and V. The metal ion must be coordinated to at least two …
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Can I search on bonds, angles and torsions involving metals or hydrogen atoms?
… It is possible to search for bond distances involving metals however it is not possible to search for angles and torsions involving metals. No bonds, angles …
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How should I deal with polymeric structures in CSD Editor?
… The easiest way to deal with polymeric structures is to reduce the relevant bond distance pairs to the metal until the structure is not polymeric. This can …
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How can I deposit inorganic data into the ICSD?
… You can deposit organic, metal-organic and inorganic experimental crystal structures as well as theoretical structures through the joint CCDC/FIZ Karlsruhe …
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What are the strengths/weaknesses of similarity searching in WebCSD?
… elements, such as transition metals, this means that closely related metal complexes, for example, may not be listed with high similarity coefficients. For further …
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Why have the CCDC and FIZ Karlsruhe collaborated?
… databases, has been the driving force behind the development of these joint services that cover organic, metal-organic and inorganic structures. This means …
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How do I define the number of bonds formed by an atom?
… containing pyridine and not pyridinium or metal-bound pyridine, you can specify that the nitrogen has exactly two bonded atoms. …
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Where do I deposit data not accepted by the CCDC?
… All experimentally determined organic, metal-organic and inorganic structures can be deposited with CCDC though the online deposition service …
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How should I reference the CCDC deposition number in my paper?
… For organic and metal-organic structures we recommend the following footnote: “CCDC nnnnnnn contains the supplementary crystallographic data for this paper …
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