Difference between revisions of "SPARTA+"
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| Line 29: | Line 29: | ||
* SPARTAP_DIR | * SPARTAP_DIR | ||
| − | * | + | * SPARTA_DIR |
* HPC_SPARTAP_DIR - installation directory | * HPC_SPARTAP_DIR - installation directory | ||
* HPC_SPARTAP_BIN - binary executable directory | * HPC_SPARTAP_BIN - binary executable directory | ||
Revision as of 19:32, 1 October 2012
Description
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
Serial
- sparta+
System Variables
- SPARTAP_DIR
- SPARTA_DIR
- HPC_SPARTAP_DIR - installation directory
- HPC_SPARTAP_BIN - binary executable directory