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It is our great priviledge to announce that Sir J. Fraser Stoddart, 2016 Nobel Laureate in Chemistry, has kindly agreed to become officially a Patron of the Open Data Fit Project (opendatafit.org) and the website supramolecular.org. In doing so he expressed his strong support for the mission of the project:
We have now introduced a "save only" option in BindFit. Simply select the "save data only" options (NMR or UV) towards the bottom. You do need to make sure your input data is formatted correctly (first raw headers, column 1 - host conc, column 2 - guest con and column 3-end measured values). Once you uploaded you data you get straight to the "save" option for the database and you get the opportunity to add additional information (meta data) to your input data before saving it to our database and getting an unique URL's.
A lot of people asked and now it is here - error estimations on binding constants is now inbuild into our calculators!
We have now completed our move of the supramolecular.org website to the new look that is build around our python-based calculators. Enjoy all the new features, particularly our storage or database option. Do let us know if you spot any issues with our new site. We will also be posting more information about our new features and how to use this website over the next little values.