Software Open Access
TITANIA Model-Free Interpretation of Residual Dipolar Couplings in the Context of Organic Compounds
Roth, Felix A.;
Schmidts, Volker;
Thiele, Christina M.
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.
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volkerschmidts/titania-v1.6.46.zip
md5:34fac780c75e4fea69e1158b97548220 |
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| Data volume | 6.3 MB | 6.3 MB |
| Unique views | 101 | 101 |
| Unique downloads | 14 | 14 |
Indexed in
- Publication date:
- October 4, 2021
- DOI:
-
- Keyword(s):
- NMR Residual Dipolar Couplings
- Related identifiers:
- Derived from
- Supplement to
- 10.26434/chemrxiv.14636070.v1 (Preprint)
- 10.26434/chemrxiv.14636316.v1 (Preprint)
- License (for files):
- Other (Open)