Permits users to prepare and run calculations. MaxOcc hides complexity of the interaction with the grid. Its calculations are run on the WeNMR grid, allowing a few hundred conformations to be analyzed simultaneously. This tool accepts as input data both paramagnetic Nuclear Magnetic Resonance (NMR) data (pcs, rdc and/or pre data) and Small-Angle X-ray Scattering (SAXS) profiles. It streamlines preparation of input data and the retrieval and analysis of the calculation results.
Assists in the sequential nuclear magnetic resonance (NMR) resonance assignment of intrinsically disordered proteins. ncIDP-assign is an extension for the nuclear magnetic resonance (NMR) assignment program SPARKY. The software matches, connects and assigns consecutive residues. It accelerates the process of sequential resonance assignment of large intrinsically disordered proteins by reducing the level of assignment ambiguities.
Solves protein structures, based on the protein sequence and distance-, dihedral-angle and residual dipolar coupling (RDC) restraints. YASARA NMR Module is an add-on for YASARA Structure. Folding and refinement are visualized in real-time on screen, allowing the identification of problematic restraints. Floating assignments and non-standard residues are also supported.