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Version

Install

install.packages('CHNOSZ')

Monthly Downloads

770

Version

2.1.0

License

GPL-3

Maintainer

Jeffrey Dick

Last Published

February 11th, 2024

Functions in CHNOSZ (2.1.0)

NaCl

Simple NaCl-Water Solution
CHNOSZ-package

Thermodynamic Calculations and Diagrams for Geochemistry
add.protein

Amino Acid Compositions of Proteins
affinity

Chemical Affinities of Formation Reactions
add.OBIGT

Functions to Work with the Thermodynamic Database
IAPWS95

Properties of Water from IAPWS-95
basis

Define Basis Species
EOSregress

Regress Equations-of-State Parameters for Aqueous Species
makeup

Parse Chemical Formulas
info

Search the Thermodynamic Database
mix

Combine Diagrams for Multi-Metal Systems
logB.to.OBIGT

Fit Thermodynamic Parameters to Formation Constants (log β)
buffer

Calculating Buffered Chemical Activities
examples

Run Examples from the Documentation
extdata

Extra Data
ionize.aa

Properties of Ionization of Proteins
equilibrate

Equilibrium Chemical Activities of Species
diagram

Chemical Activity Diagrams
mosaic

Chemical Affinities with Changing Basis Species
solubility

Equilibrium Chemical Activities of Species
nonideal

Activity Coefficients of Aqueous Species
retrieve

Retrieve Species by Element
species

Species of Interest
subcrt

Properties of Species and Reactions
rank.affinity

Average Ranks of Chemical Affinities
protein.info

Summaries of Thermodynamic Properties of Proteins
palply

Conditional Parallel Processing
stack_mosaic

Stacked mosaic diagram
util.formula

Functions to Work with Chemical Formulas
thermo

Thermodynamic Database and System Settings
util.data

Functions for Checking Thermodynamic Data
taxonomy

Extract Data from NCBI Taxonomy Files
util.array

Functions to Work with Multidimensional Arrays
util.expression

Functions to Express Chemical Formulas and Properties
swap.basis

Swap Basis Species
util.legend

Functions to Make Legend Text
util.list

Functions to Work with Lists
util.fasta

Functions for Reading FASTA Files and Downloading from UniProt
util.seq

Functions to Work with Sequence Data
util.protein

Functions for Proteins (Other Calculations)
util.misc

Functions for Miscellaneous Tasks
util.units

Functions to Convert Units
water

Properties of Water
util.water

Functions for Properties of Water and Steam
util.plot

Functions to Create and Modify Plots
Berman

Thermodynamic Properties of Minerals
DEW

Deep Earth Water (DEW) Model