SPARTA+

From UFRC
Revision as of 13:55, 6 June 2022 by Israel.herrera (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

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

  • SPARTAP_DIR
  • SPARTA_DIR
  • HPC_SPARTAP_DIR - installation directory
  • HPC_SPARTAP_BIN - binary executable directory