TITANIA Model-Free Interpretation of Residual Dipolar Couplings in the Context of Organic Compounds
TITANIA is a program package to directly extract structure and dynamics parameters from Residual Dipolar Couplings for weakly aligned organic compounds using an iterative model-free approach. RDC data from multiple alignment sets are analyzed to jointly determine the conformation and configuration of organic compounds.
Is derived from
Software: https://github.com/volkerschmidts/titania/tree/v1.6.46 (URL)
Is supplement to
Preprint: 10.26434/chemrxiv.14636070.v1 (DOI)
Preprint: 10.26434/chemrxiv.14636316.v1 (DOI)