Determine small and macromolecular structure with SHELX and ShelXle GUI


SHELX is a system of programs for macromolecular users supporting crystal structure determination. SHELX originally regarded small molecules only, but it is now upgraded to be used also for macromolecules.

SHELX includes: SHELXS Structure solution, SHELXC Preparations of files for macromolecular phasing, SHELXD Structure solution, SHELXE Phases, SHELXL Structure refinement, CIFTAB Tables, SHELXA Post-absorption corrections, SHELXPRO Protein interface, SHELXWAT Automatic water divining for macromolecules.

ShelXle adds a graphical user interface to SHELXL structure refinement tool included in SHELX. The program provides syntax highlighting and convenient editing for INS and RES formats. If you are already using SHELX you won’t face any difficulty to find your way in the graphical interface provided by ShelXle. Loading a structure you are able easily to change various parameters such as Bond Strength, etc., add tubes, toggle labels, and more.

Note that in the links here offered the ShelXle GUI can be downloaded immediately, but the main SHELX system requires first registration.

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