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[Mirror1 download link] - file hosted by download.gna.orgMolecular dynamics by NMR data analysisWhats new in version 4.0.3:
Features:
• Addition of the vector_angle() relax library function for calculating the signed or directional angle between two vectors.
• Huge speed up of the interatom.define user function.
• For improved feedback, a busy cursor is shown in the GUI when executing user functions.
• The steady-state NOE auto-analysis now produces a 2D Grace plot of the reference and saturated spectra peak intensity values.
• Complete redesign of the specific analyses backend, simplifying and cleaning up this internal API and making it easier for users to add completely new analysis types to relax.
• Parametric reduction of the rotor frame order model, eliminating one redundant parameter hence simplifying optimisation.
• Large improvement for the lib.software.grace module. The \'*_err\' and \'*_bc\' parameter names for the parameter error and back-calculated parameters respectively are now supported, allowing these values to be easily plotted.
• Expansion of the value.set user function to handle parameters which consist of...
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