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… Yes. SuperStar maps can be expressed as a set of pharmacophore points, which highlight the key interactions represented within the map. Pharmacophore points …
… SuperStar has an interface via Hermes. It features easy selection of calculation settings, and offers much control over the display of multiple maps …
… design including SuperStar intermolecular interaction maps and CSD Full Interaction Maps (FIMS) Protein-ligand docking using GOLD API functions including conformer …
… maps CSD Python API (Applications Programming Interface) More about CSD-Core …
… this is not achieved after a specified time the docking will fail with following error message: Error message: Insufficient mapping points to define a 3D mapping …
… docked orientations of the ligand) is set up at random. Each member of the population is encoded as a chromosome, which contains information about the mapping …
What other software and/or data components should I install to make use of functionality I want to access?
… Bond Propensity Mercury CSD Main Data Co-Crystal Design Mercury CSD Main Data Full Interaction Maps Mercury CSD IsoStar Data Hydrogen Bond Statistics …ConQuest CSD CSD Editor CSD Python API CSD-Core CSD-CrossMiner CSD-Discovery CSD-Enterprise CSD-Materials CSD-Theory enCIFer GOLD Hermes IsoStar Mercury Mogul SuperStar
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