Difference between revisions of "CovNMR"
Jump to navigation
Jump to search
(Created page with "Category:SoftwareCategory:Biochemistry {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|covNMR}} |{{#vardefine:url|http://spin.ccic.ohio-state.edu/index.php/welcome/...") |
|||
| Line 27: | Line 27: | ||
[[Modules|modules documentation]] | [[Modules|modules documentation]] | ||
===Serial=== | ===Serial=== | ||
| − | *{{#var:app}} | + | *{{#lowercase:{{#var:app}}}} |
<!--Add additional HPC_FOO_BIN and other ENV VARIABLES below--> | <!--Add additional HPC_FOO_BIN and other ENV VARIABLES below--> | ||
==System Variables== | ==System Variables== | ||
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory | * HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory | ||
| + | * HPC_{{#uppercase:{{#var:app}}}}_BIN - executable program directory | ||
<!--Run--> | <!--Run--> | ||
Revision as of 20:58, 28 February 2014
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.
Required Modules
Serial
- {{#lowercase:covNMR}}
System Variables
- HPC_{{#uppercase:covNMR}}_DIR - installation directory
- HPC_{{#uppercase:covNMR}}_BIN - executable program directory