relax (molecular dynamics analysis)

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Analyzed about 1 year ago. based on code collected about 1 year ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 16, 2023 — Jan 16, 2024 Showing page 18 of 862 Search / Filter on:
Support for NMR proton pseudo-atom identification from PDB files in the internal structural object.	Edward d'Auvergne	More...				over 7 years ago
Improved documentation for the DIFF_MODEL variable in the dauvergne_protocol.py sample script.	Edward d'Auvergne	More...				over 7 years ago
Conversion of the relaxation curve-fitting sample script to use the auto-analysis.	Edward d'Auvergne	More...				over 7 years ago
Fix for the relaxation curve-fitting auto-analysis for when the data pipe name is incorrect.	Edward d'Auvergne	More...				over 7 years ago
Created the Relax_fit.test_auto_analysis_pipe_name system test to catch a missing RelaxNoPipeError.	Edward d'Auvergne	More...				over 7 years ago
Another small fix for trp indole 15N spins in the relaxation curve-fitting sample script.	Edward d'Auvergne	More...				over 7 years ago
Support for Grace-formatted units in the specific analysis parameter object.	Edward d'Auvergne	More...				over 7 years ago
Minor fixes for the relaxation curve-fitting sample script.	Edward d'Auvergne	More...				over 7 years ago
Removal of the numdifftolls extern package, as this can be easily installed in Python using pip.	Edward d'Auvergne	More...				over 7 years ago
Update to FSF compliant copyright notices for the external numdifftools package.	Edward d'Auvergne	More...				over 7 years ago
Fixes for the FSF copyright notice compliance checking script.	Edward d'Auvergne	More...				over 7 years ago
Copyright notice updates fro the graphics/misc/relaxGUI_splash* files.	Edward d'Auvergne	More...				over 7 years ago
Added the base Xmgrace data file for the generation of the R2 peak intensity data plot.	Edward d'Auvergne	More...				over 7 years ago
Added a README file for the extern/numdifftools package.	Edward d'Auvergne	More...				over 7 years ago
Removed the ancient CIA.vc references in the development chapter of the manual.	Edward d'Auvergne	More...				over 7 years ago
Replaced all references to "open source" in the manual with "free software".	Edward d'Auvergne	More...				over 7 years ago
Changed a number of references to "Linux" to "GNU/Linux".	Edward d'Auvergne	More...				over 7 years ago
Added the base Xmgrace data file for the generation of the NOE data plot.	Edward d'Auvergne	More...				over 7 years ago
Added a trivial relax script to help regenerate the pec_diag.eps diagram.	Edward d'Auvergne	More...				over 7 years ago
Update to FSF compliant copyright notices for the external Sobol package.	Edward d'Auvergne	More...				over 7 years ago
Changed the relax state file name for the state.save user function calls in the sample scripts.	Edward d'Auvergne	More...				over 7 years ago
Bug fix allowing for spaces in file paths in the GUI open_file() function.	Edward d'Auvergne	More...				over 7 years ago
Updated the general relax copyright notice for 2017.	Edward d'Auvergne	More...				over 7 years ago
Updated the GUI splash screen for 2017.	Edward d'Auvergne	More...				over 7 years ago
Blacklisted missing files are now skipped in the test___all__() unit test base class method.	Edward d'Auvergne	More...				over 7 years ago
Cosmetic change for the test___all__() unit test base class method.	Edward d'Auvergne	More...				over 7 years ago
Collection of all commits to attribute to other authors.	Edward d'Auvergne	More...				over 7 years ago
Update to FSF compliant copyright notices for all scripts in the test_suite/shared_data/ directory.	Edward d'Auvergne	More...				over 7 years ago
Merge remote-tracking branch 'gh/master'	Edward d'Auvergne	More...				over 7 years ago
Fix for depcheck, when packages has an appended release candidate number.	Troels Schwarz-Linnet	More...				over 7 years ago

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