jmborr / idpflex

Analysis of intrinsically disordered proteins by comparing MD simulations to Small Angle Scattering experiments
http://idpflex.readthedocs.io/en/latest/
MIT License
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Fitting with multiple initial guesses #102

Open ConnorPigg opened 5 years ago

ConnorPigg commented 5 years ago

As seen in an example of fitting a tree of saxs profiles, occasionally fitting can produce strange results due to the starting guess. To avoid this, use a global minimization strategy such as manual brute force (try a few starting parameter guesses) or strategies such as basinhopping which may be already available through lmfit.

jmborr commented 5 years ago

👍