Difference between revisions of "SPARTA+"
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__NOTOC__ | __NOTOC__ | ||
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| − | [[Category:Software]][[Category: | + | [[Category:Software]][[Category:Chemistry]] |
{|<!--Main settings - REQUIRED--> | {|<!--Main settings - REQUIRED--> | ||
|{{#vardefine:app|SPARTA+}} | |{{#vardefine:app|SPARTA+}} | ||
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==System Variables== | ==System Variables== | ||
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| + | * SPARTAP_DIR | ||
| + | * SPARTA_DIR | ||
| + | * HPC_SPARTAP_DIR - installation directory | ||
| + | * HPC_SPARTAP_BIN - binary executable directory | ||
{{#if: {{#var: conf}}|==Configuration== | {{#if: {{#var: conf}}|==Configuration== | ||
Latest revision as of 13:55, 6 June 2022
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