CCDC




Mercury - Crystal Structure Visualisation and Exploration Made Easy.

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enCIFer - CIF checking, editing and visualisation software from the CCDC.

Version 1.3

RPluto - Graphical Display of Molecular and Crystal Structures.

Version v5.23

CSDSymmetry - the most complete collation of observed molecular and crystallographic symmetry properties to date.

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The Best Representative of Each Unique Polymorph in the CSD - download refcode lists that can be used as filters in ConQuest and Mercury.

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Original GOLD test set - a test set of 134 protein-ligand complexes used in the first GOLD validation.

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CCDC/Astex test set - a test set of 305 protein-ligand complexes used to validate both SuperStar and GOLD.

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Astex Diverse set - a new test set of 85 diverse, drug-like ligands used to validate GOLD.

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Astex Non-native set - a set of 1112 non-native structures for 65 targets, useful for assessing docking performance against non-native protein conformations.

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