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relax
Allows to study molecular dynamics by analyzing nuclear magnetic resonance (NMR) relaxation data. Relax has been written as a modular collection of data analysis tools. A Graphical User Interface (GUI), developed for model-free analysis, is integrated into the software package. The program supports several analysis such as Model-free analysis, Nuclear overhauser effect (NOE) or Reduced Spectral Density Mapping (RDSM). It can also create the input files for both Modelfree and Dasha, execute both programs in-line, and then read their output.
CoNSEnsX / Compliance of NMR-derived Structural Ensembles with eXperimental data
Performs general ensemble-based validation step and a simple and straightforward, multi-purpose selection option. CoNSEnsX permits to assess the correspondence of ensembles to experimental nuclear magnetic resonance (NMR) parameters. It can be used for protein structure prediction, ensemble-based evaluation of protein models is an important issue in assessing the accuracy of the predicted conformations. The tool will aid the choice of suitable low-dimensional projections.
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