Please be aware: In order to download structures as CIF files you will need to provide your name, e-mail address and institution (although, when we tested the interface, it did not appear to be verifying any of the entered details). More-advanced search functionality (e.g., by chemical composition) requires a paid subscription. We should note that were unable to locate common mineral names such as "quartz", "feldspar", "mica" or "garnet"! This interface allows searching by compound name, internal database code (of somewhat dubious value) or publication. The Office for Research, McCormick School of Engineering, Weinberg College of Arts and Sciences and the Materials Science and Engineering Department have jointly licensed the CrystalMaker Suite for use by all staff and faculty at Northwestern University. This is a free - but basic - interface to the quasi-commerical Cambridge Structures Database (CSD - organo-metallic structures) and the Inorganic Crystal Structures Database (ICSD). Note: you will need to specify the "CIF" format, when downloading data. Instead, element symbols and (edited) site labels are mashed together, which can result in some uncertainty over exactly which element resides where (e.g., is a site labelled "CA1" bearing a C atom or a Ca atom?!).ĬrystalMaker does its best to try to deal with this less-and-ideal situation - but we do recommend that you check the resulting structure. Site occupancies are not correctly reported. Many site labels have been changed from their original, published values. Please be aware: Unfortunately, this library has some serious drawbacks:. It contains a wealth of mineral structures, including every structure published in American Mineralogist, Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, plus other sources. This database is the culmination of a major NSF funding project. Please be aware: The quality is somewhat variable, although the editors have been responsive to the (many) error reports we have submitted. Building a new molecule by pointing-and-clicking with the mouse, then relaxing its structure.This is part of a series of instructional videos for CrystalMake. Originally set up by Prof Armel Le Bail, and now with an international board of editors (and significant state subsidies from the government of Lithuania) this database contains many thousands of entries, which can be freely downloaded in the ubiquitous CIF format. If you have a recent version of CrystalMaker, you should then be able to drag-and-drop your file(s) into the program, for instant display. While initially Mac-based software, it is now in Mac OS and Windows versions, with a range of licensing options, from single-user, group, classroom and site licenses.If you still cannot find the structure you need, we are very pleased to recommend two open-access databases, which have search facilities and let you download data in (industry-standard) CIF format. Making animated movies for PowerPoint or KeyNote presentations etc is easier than ever, and one also has the ability to create colour 3D stereo movies.Įxperienced crystallographers may resist using CrystalMaker, due to their familiarity with refinement-focused software, but like researchers, students, and other non-crystallographers, they will appreciate the ease with which all structures can be displayed from many perspectives, and the advantages of CrystalMaker’s customisable, photo-realistic, high resolution graphics offer to reports, proposals, publications, posters, and presentations. CrystalMaker has a customisable icon-based toolbar that enables the user to easily change view and perspectives of a structure. Lattice planes can be visualised, and with CrystalDiffract powder patterns are easily generated for comparison with data. The density and porosity are easily calculated and all bonding and nonbonding distances to dihedral angles just require mouse clicks. Large molecules as well as complex, multiple unit cells of extended structures can be inspected in ball and stick, polyhedral, stereo, Ortep, and stick formats, with options to show surfaces, unit cells and axes, to enable insightful views of a structure. In a simple, intuitive manner the latest version of CrystalMaker (v8.2 Mac, v2.2 Windows) provides both students and experienced crystallographers convenient options to view structures whose structural data is available in several formats including CIF, ICSD, CSD, and PDB, and provides for high quality, annotated images highlighting key structural features for publication or presentations. Diamond layers as visualised with CrystalMaker
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