Run molecular dynamics simulations

Build accurate models

Build accurate structures from NMR-chemical shifts

Compute NMR structure from unassigned NOEs peak lists

Detailed examples for common tasks

Create your scripts from templates

Everything you need to know

Aqva manual

Fast and accurate Chemical Shift prediction

Prediction of random coil chemical shifts from the amino acid sequence of a protein

Get energy of a 3D structure

Run a short minimization