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Future cycles - PowerPoint PPT Presentation

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Shelx and Hydrogen Atoms

Shelx and Hydrogen Atoms. How and why. Riding Hydrogen Atoms. The default treatment is to calculate idealized positions for the hydrogen atoms and constrain them so they are at a set X-H distance. This is referred to as riding atoms because they ride with the atom they are attached to.

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Future cycles - PowerPoint PPT Presentation

Shelx and Hydrogen Atoms