This package includes functions and data sets to support chemical thermodynamic modeling in biochemistry and low-temperature geochemistry. The features include calculation of the standard molal thermodynamic properties and chemical affinities of reactions involving minerals and/or biomolecules; a database of thermodynamic properties of aqueous, crystalline and gaseous species; amino acid group additivity for the standard molal thermodynamic properties of neutral and ionized proteins; use of the revised Helgeson-Kirkham-Flowers equations of state for aqueous species; construction of equilibrium activity diagrams as a function of temperature, pressure, and chemical activities or fugacities of basis species.
| Version: | 1.0.3.1 |
| Depends: | R (≥ 2.12.0) |
| Suggests: | limSolve, parallel, testthat |
| Published: | 2014-02-12 |
| Author: | Jeffrey Dick |
| Maintainer: | Jeffrey Dick <j3ffdick at gmail.com> |
| License: | GPL-2 | GPL-3 [expanded from: GPL (≥ 2)] |
| URL: | http://www.chnosz.net/, http://chnosz.r-forge.r-project.org/ |
| NeedsCompilation: | yes |
| Citation: | CHNOSZ citation info |
| Materials: | NEWS |
| In views: | ChemPhys |
| CRAN checks: | CHNOSZ results |
| Reference manual: | CHNOSZ.pdf |
| Vignettes: |
An introduction to CHNOSZ Equilibrium in CHNOSZ Hot-spring chemistry and model proteins from a metagenome Winding journey down (in Gibbs energy) |
| Package source: | CHNOSZ_1.0.3.1.tar.gz |
| Windows binaries: | r-devel: CHNOSZ_1.0.3.1.zip, r-release: CHNOSZ_1.0.3.1.zip, r-oldrel: CHNOSZ_1.0.3.1.zip |
| OS X Snow Leopard binaries: | r-release: CHNOSZ_1.0.3.1.tgz, r-oldrel: CHNOSZ_1.0.3.1.tgz |
| OS X Mavericks binaries: | r-release: CHNOSZ_1.0.3.1.tgz |
| Old sources: | CHNOSZ archive |
| Reverse imports: | ecipex |