Author:
Macrae Clare F.,Bruno Ian J.,Chisholm James A.,Edgington Paul R.,McCabe Patrick,Pidcock Elna,Rodriguez-Monge Lucia,Taylor Robin,van de Streek Jacco,Wood Peter A.
Abstract
The programMercury, developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has been produced, called theMaterials Module, which allows highly customizable searching of structural databases for intermolecular interaction motifs and packing patterns. This new module also includes the ability to perform packing similarity calculations between structures containing the same compound. In addition to theMaterials Module, a range of further enhancements toMercuryhas been added in this latest release, including void visualization and links toConQuest,MogulandIsoStar.
Publisher
International Union of Crystallography (IUCr)
Subject
General Biochemistry, Genetics and Molecular Biology
Cited by
8288 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Tetraaza macrocyclic complexes of Cu(II), Co(III) and Ni(II) derived from template condensation of 2,6-pyridinedicarbohydrazide and 2,6-diacetylpyridine: Stability investigation and coloring properties on plastics;Journal of Molecular Structure;2025-02
2. Synthesis and anticancer activity of Pd(II) and Pt(II) complexes of dodecyl based dithiocarbamate ligands: Insight into the C-H∙∙∙Pt interaction using X-ray structure, DFT, Hirshfeld surface and AIM analysis;Journal of Molecular Structure;2025-02
3. Studies on a novel oxo-vanadium(V) complex of a tridentate ONO Schiff base ligand: Synthesis, characterization, X-ray crystal structure, Hirshfeld surface analysis, biological and catalytic activity;Journal of Molecular Structure;2025-02
4. New polymorph of N-benzoyl-morpholine-4-carbothioamide with ten crystallographically independent molecules in the asymmetric unit: Crystal structure, Hirshfeld surface analysis and Density functional theory calculations;Journal of Molecular Structure;2025-02
5. Molecular drug design, theoretical, experimental approaches and new framework of novel oxazol dihydroquinoxaline (ODQ): Efficient synthesis, crystallographic, computational investigation, DFT calculation, ADME analysis and antiangiogenic molecular docking;Journal of Molecular Structure;2025-02