SPARTA+

Description

sparta+ website

This module enables the use of the SPARTA+ software SPARTA+ employs a well-trained neural network algorithm to make rapid chemical shift prediction on the basis of known structure. The neural network is trained on a large carefully pruned database, containing 580 proteins for which high-resolution X-ray structures and nearly complete backbone and 13CB chemical shifts are available. The neural network is well trained to establish quantitative relations between chemical shifts and protein structures, including backbone and side-chain conformation, H-bonding, electric fields and ring-current effects. The trained neural network yields rapid and accurate chemical shift prediction for backbone and 13CB atoms.

Environment Modules

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Environment Variables

Categories

chemistry