Python: module spartaTools
Tools to help with configuration and analysis of SPARTA+ (Shifts
Prediction from Analogue of Residue type and Torsion Angle).
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- create_Sparta(selection='all', annSet='20110211', verbose=False)
- Create a SPARTA object given an atom selection.
The annSet argument specifies the neural network model used.
Valid choices are
'20110211' - published SPARTA model with these modifications:
smoothed hbond, electric field contributions
order parameter term removed.
'20110225' - published SPARTA model with these modifications:
smoothed electric field contribution, order parameter
term removed, hbond term replaced with sum of all
(smoothed) h-bond energies. This model does not have
discontinuities due to the change of identity of the
strongest H-bond (present in the 20110211 model).
'20110324' - the 20110225 model but with the 20-dimensional BLOSUM
residue identification metric with a 5-dimensional
version introduced here:
http://www.pnas.org/content/102/18/6395.long
If True the verbose argument causes informational messages to be printed.
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