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Beta -- modules under development


Altens Determines the alignment tensor of a molecule based on user-supplied residual dipolar couplings (RDC) and atom coordinates of a single or multiple conformers. The RDCs can be for multiple types of bond vectors and nuclear spin pairs.

Build Utilities Methods to modify PDB files and structures to help build starting structures for modeling.

Torsion Angle Monte Carlo Performs molecular Monte Carlo simulation of proteins, single stranded nucleic acids, double stranded nucleic acids, some carbohydrates and selected polymers.


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