Difference between revisions of "SPARTA+"

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==System Variables==
 
==System Variables==
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory
+
 
 +
* SPARTAP_DIR
 +
* SPARTAP_DIR
 +
* HPC_SPARTAP_DIR - installation directory
 +
* HPC_SPARTAP_BIN - binary executable directory
  
 
{{#if: {{#var: conf}}|==Configuration==
 
{{#if: {{#var: conf}}|==Configuration==

Revision as of 19:32, 1 October 2012

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