Difference between revisions of "SPARTA+"
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| − | == | + | __NOTOC__ |
| + | __NOEDITSECTION__ | ||
| + | [[Category:Software]][[Category:Graphics]] | ||
| + | {|<!--Main settings - REQUIRED--> | ||
| + | |{{#vardefine:app|SPARTA+}} | ||
| + | |{{#vardefine:url|http://spin.niddk.nih.gov/bax/software/SPARTA+/}} | ||
| + | |{{#vardefine:exe|1}} <!--Present manual instructions for running the software --> | ||
| + | |{{#vardefine:conf|}} <!--Enable config wiki page link - {{#vardefine:conf|1}} = ON/conf|}} = OFF--> | ||
| + | |{{#vardefine:pbs|1}} <!--Enable PBS script wiki page link--> | ||
| + | |{{#vardefine:policy|}} <!--Enable policy section --> | ||
| + | |{{#vardefine:testing|}} <!--Enable performance testing/profiling section --> | ||
| + | |{{#vardefine:faq|}} <!--Enable FAQ section --> | ||
| + | |{{#vardefine:citation|1}} <!--Enable Reference/Citation section --> | ||
| + | |} | ||
| + | <!-- ######## Template Body ######## --> | ||
| + | <!--Description--> | ||
| + | {{#if: {{#var: url}}| | ||
| + | {{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}} | ||
| − | + | 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. | |
| − | == | + | <!--Modules--> |
| + | ==Required Modules== | ||
| + | [[Modules|modules documentation]] | ||
| + | ===Serial=== | ||
| + | *sparta+ | ||
| − | === | + | ==System Variables== |
| − | + | * HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory | |
| − | |||
| − | |||
| − | == | + | {{#if: {{#var: conf}}|==Configuration== |
| − | * | + | See the [[{{PAGENAME}}_Configuration]] page for {{#var: app}} configuration details.|}} |
| + | {{#if: {{#var: pbs}}|==PBS Script Examples== | ||
| + | See the [[{{PAGENAME}}_PBS]] page for {{#var: app}} PBS script examples.|}} | ||
| + | {{#if: {{#var: policy}}|==Usage Policy== | ||
| + | WRITE USAGE POLICY HERE (perhaps templates for a couple of main licensing schemes can be used)|}} | ||
| + | {{#if: {{#var: testing}}|==Performance== | ||
| + | WRITE PERFORMANCE TESTING RESULTS HERE|}} | ||
| + | {{#if: {{#var: faq}}|==FAQ== | ||
| + | *'''Q:''' **'''A:'''|}} | ||
| + | {{#if: {{#var: citation}}|==Citation== | ||
| + | If you publish research that uses {{#var:app}} you may cite it as follows: | ||
| − | + | "Gravitational N-Body Simulations: Tools and Algorithms" by Sverre J. Aarseth, Cambridge University Press, 2003. | |
| − | + | |}} | |
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Revision as of 19:30, 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
- 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.