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ShelXle 1.0 Revision 1258 for Windows

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Description:Visualize, manage and edit three-dimensional structures of atoms, being able to customize every aspect of their appearance with SHELXL interface
Version:ShelXle 1.0 Revision 1258
File name:
File size:
12 MB
Operating System:Microsoft Windows
Requirements:Windows 10 64 bit
Updated on:May 5, 2021
Downloaded:6,548 times
Developer:Christian Hubschle


is a comprehensive and reliable piece of software that is meant to provide users with a Graphical User Interface for SHELXL, which is a crystal structure refinement tool. It comprises a syntax highlighter and an editor to offer users the ability to process INS and RES files more easily.
In terms of looks, the application displays a fairly straightforward and easy to handle appearance, much of its functionality being quite intuitive, yet relying entirely on pre-existing SHELXL-associated input and output files.
Resorting to menus for neatly organizing its functions, as well as ribbon buttons for quick access, ShelXle allows users load the files they want to work with, in just a couple of clicks, and then start modifying them.
To get things started, users need to import the files they wish to process, in INS or RES format, depending on whichever they have at hand. However, ShelXle does not come with any samples, which makes it difficult for novices to get the hang of it, thus requiring a very thorough analysis of the help documentation.
Once the three-dimensional crystal structure file has been loaded into the utility, users can begin to adjust the ‘Style’ of the atoms, modifying ‘Bond Strength’, ‘Level of Detail’, ‘QPeak-Size’, ‘Max H-Acceptor Distance’ and ‘Min H-Bond Angle’ values. Moreover, they can edit the atom’s type and colors, along with several other parameters.
The ribbon buttons allow users to add ‘Tubes’, ‘Ball-sticks’, or toggle ‘ADPs’, ‘Bonds’, ‘Labels’, ‘Unit Cells’ or ‘H-Bonds’. Similarly, they can alternate between an orthographic and an a central perspective projection, depending on their particular needs.
To summarize, ShelXle proves to be an efficient and handy tool that chemistry enthusiasts can rely on for editing the appearance of the 3D crystal structures, enabling them to customize the look of the atoms on the fly.

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