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… Our survey on chemical sketching tools ran in March and April 2020 - here we present some of the results. …
… search-chemical-structures-sketch …
… in-house structures. Why are we building a new chemical sketcher? The aim of the CSD Sketcher is to offer a chemical sketching tool which is specifically tailored …
… enter a 1D SMILES or a 2D sketch and get this landscape of possible crystal structures in minutes—all based on empirical data. ▶ Watch the 3-minute video showing …
… on the use of Java applets for visualising structures, sketching and for browsing search results. With the addition of the new search and highlighting features …
… toolkits such as RDKit. For example C1CCC[*]C1 would represent any saturated, 6-membered ring containing 5 carbons and an “any” atom, as sketched below. A 6-membered …
… coordinates, for example when it is sketched in Mercury. The 3D coordinate generator is an iterative, atom-template based process, guided by stereochemistry …
… hand drawn sketch in a sharable format was definitely a moment to remember - I really felt I had contributed to the crystallography community when …
… online WebCSD search system we have a number of FAQs to help to get you started including: How does the similarity search work? What should I sketch …
