Difference between revisions of "CovNMR"
(Created page with "Category:SoftwareCategory:Biochemistry {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|covNMR}} |{{#vardefine:url|http://spin.ccic.ohio-state.edu/index.php/welcome/...") |
|||
| (6 intermediate revisions by 4 users not shown) | |||
| Line 1: | Line 1: | ||
| − | [[Category:Software]][[Category: | + | [[Category:Software]][[Category:Biology]] |
{|<!--CONFIGURATION: REQUIRED--> | {|<!--CONFIGURATION: REQUIRED--> | ||
|{{#vardefine:app|covNMR}} | |{{#vardefine:app|covNMR}} | ||
| Line 13: | Line 13: | ||
|{{#vardefine:testing|}} <!--TESTING/PROFILING--> | |{{#vardefine:testing|}} <!--TESTING/PROFILING--> | ||
|{{#vardefine:faq|}} <!--FAQ--> | |{{#vardefine:faq|}} <!--FAQ--> | ||
| − | |{{#vardefine:citation|}} <!--CITATION--> | + | |{{#vardefine:citation|1}} <!--CITATION--> |
|{{#vardefine:installation|}} <!--INSTALLATION--> | |{{#vardefine:installation|}} <!--INSTALLATION--> | ||
|} | |} | ||
| Line 24: | Line 24: | ||
<!--Modules--> | <!--Modules--> | ||
| − | == | + | ==Environment Modules== |
| − | + | Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application. | |
| − | |||
| − | |||
| − | < | ||
==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
| + | * HPC_{{uc:{{#var:app}}}}_BIN - executable program directory | ||
<!--Run--> | <!--Run--> | ||
| Line 57: | Line 55: | ||
{{#if: {{#var: citation}}|==Citation== | {{#if: {{#var: citation}}|==Citation== | ||
If you publish research that uses {{#var:app}} you have to cite it as follows: | If you publish research that uses {{#var:app}} you have to cite it as follows: | ||
| − | + | ||
| + | F. Zhang and R. Brüschweiler, Indirect covariance NMR spectroscopy. J. Am. Chem. Soc. 126, 13180-13181 (2004). | ||
| + | Last modified: Jun. 2006 | ||
| + | |||
|}} | |}} | ||
<!--Installation--> | <!--Installation--> | ||
Latest revision as of 15:55, 23 August 2022
Description
Covariance NMR Spectroscopy provides a powerful approach to NMR correlation spectroscopy with resolution enhancement along the indirect dimension. The resulting spectrum is fully symmetric with the same resolution along the indirect dimension w1 (called w2′) as along the detection dimension w2. The singular value decomposition (SVD) implementation of the matrix square-root operation makes covariance NMR computationally affordable and amenable to a wide range of routine applications in liquids and solids.
Environment Modules
Run module spider covNMR to find out what environment modules are available for this application.
System Variables
- HPC_COVNMR_DIR - installation directory
- HPC_COVNMR_BIN - executable program directory
Citation
If you publish research that uses covNMR you have to cite it as follows:
F. Zhang and R. Brüschweiler, Indirect covariance NMR spectroscopy. J. Am. Chem. Soc. 126, 13180-13181 (2004). Last modified: Jun. 2006