SPARTA+

Description

SPARTA+ website  

SPARTA+ employs a well-trained neural network algorithm to make rapid chemical shift prediction on the basis of known structure. The trained neural network yields rapid and accurate chemical shift prediction for backbone and 13CB atoms.

Required Modules

modules documentation

Serial

• sparta+

System Variables

• HPC_{{#uppercase:SPARTA+}}_DIR - installation directory

PBS Script Examples

See the SPARTA+_PBS page for SPARTA+ PBS script examples.

Citation

If you publish research that uses SPARTA+ you may cite it as follows:

"Gravitational N-Body Simulations: Tools and Algorithms" by Sverre J. Aarseth, Cambridge University Press, 2003.