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: | 0.9-7 |
| Depends: | R (≥ 2.10.0), utils |
| Suggests: | xtable |
| Published: | 2011-08-23 |
| Author: | Jeffrey M. Dick |
| Maintainer: | Jeffrey M. Dick <jmdick at asu.edu> |
| License: | GPL (≥ 2) |
| URL: | http://www.chnosz.net/ |
| Citation: | CHNOSZ citation info |
| In views: | ChemPhys |
| CRAN checks: | CHNOSZ results |
| Package source: | CHNOSZ_0.9-7.tar.gz |
| MacOS X binary: | CHNOSZ_0.9-7.tgz |
| Windows binary: | CHNOSZ_0.9-7.zip |
| Reference manual: | CHNOSZ.pdf |
| Vignettes: |
An introduction to CHNOSZ Formation reactions and relative stabilities of proteins Hot-spring chemistry and model proteins from a metagenome Protein abundances vs. equilibrium activities small group group additivity |
| News/ChangeLog: | NEWS |
| Old sources: | CHNOSZ archive |