DEERconstruct

For testing suppressions in P(r) for Double Electron-Electron Resonance (DEER) spectroscopy data

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2026/9/29
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引用格式

Casey, Thomas M., and Gail E. Fanucci. “Spin Labeling and Double Electron-Electron Resonance (DEER) to Deconstruct Conformational Ensembles of HIV Protease.” Methods in Enzymology, Elsevier, 2015, pp. 153–87, doi:10.1016/bs.mie.2015.07.019.

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版本 已发布 发行说明
2.2.0

-Minor layout adjustments
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2.1.0

-Added option to revert an optimization if the results are illogical
-Added back option to load the DeerAnalysis output. Select any of the _distr, _fit, etc.
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2.0.0

-Transitioned to App Designer
-Dramatically simplified interface and procedure
-Removed all statistical inference, the RMSDs are given for each suppression combination
-Input is now generic
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1.3.0

- Pulled sub-functions out as separate m files
- Use trapz functions instead of sum to get areas of populations
- Updated my email address in the manual
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1.2.1

-Minor bug fixes
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1.2.0

-Saving now includes more of the original data and gives the option to save
only the reports for qualified suppressions.
-The distance profiles are now integral area normalized instead of amplitude normalized.
-Updated manual.
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1.1.0

-Fixed issue where filenames with multiple underscores didn't allow for the correct filename patching necessary for the code to find and load the "_fit" file
-Added calculation of S/N.
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1.0.2

minor code cleanup, minor bug fixes
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1.0.1

-Removed {'fontname', 'symbol'} and replaced with call to latex interpreter for users with newer matlab versions
-added zoom and data cursor buttons to the GUI
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1.0.0

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