SHELIXIR_GUI: interface for SHELIXIR

General description - Download - Interface - References

General description

SHELIXIR_GUI is a graphical interface for script SHELIXIR that enables fast and automatic experimental phasing using SHELX C/D/E.

The GUI is written in Tcl/Tk and should work on many standard Linux distributions. User has an option to decide for the browser to display the results.

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Download:

Actual version of SHELIXIR_GUI is to be downloaded here.

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Interface:

Options:

• Predefined Bravais lattices.
• Variable sequence of space groups to be tested.
• Supports parallelization of SHELIXIR.
• Provides information on Shelx E parameters.

Shelx E info:

Brief list of Shelx E parameters.

Full list of Shelx E parameters.

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References:

P. Kolenko, J. Stransky, T. Koval, M. Maly, J. Dohnalek. (2021). SHELIXIR: automation of experimental phasing procedures using SHELXC/D/E. J. Appl. Cryst., 54, 996-1005.

P. Kolenko (2019), baSHELiXir: A Bash Script for Automated Experimental Phasing Using Shelx C/D/E. Chemicke listy, 113, 610-614.

I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful.

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