Vienna Soil Organic Matter Modeler 2
Explore an unknown environment.
The Vienna Soil Organic Modeler 2 is an online tool to create
condensed phase models of humic substances.
Details about the modeler can be found in:
-
Vienna Soil Organic Matter Modeler 2 (VSOMM2),
Y. Escalona, D. Petrov and C. Oostenbrink,
J. Mol. Graphics Model. (2021), 103, 107817 doi:
10.1016/j.jmgm.2020.107817
-
Vienna Soil Organic Matter Modeler - Generating condensed-phase models of
humic substances,
A. Sündermann, R. Solc, D. Tunega, G. Haberhauer, M.H. Gerzabek and C. Oostenbrink,
J. Mol. Graph. Model. (2015), 62, 243-261 doi:
10.1016/j.jmgm.2015.10.007
Three different modes are available:
Basic input
This mode allows to specify the mass fraction of carbon and nitrogen, as well
as the pH.
Advanced input
With this mode, for the carbon atoms, the requested fractions of functional
groups can be defined (Carbonyl-C, Carboxyl-C, O-aryl, Aryl, Di-O-Alkyl,
O-Alkyl, Methoxyl and Alkyl-C).
Random input
This mode produces a random model of the given size based on the specified
random seed.
The time the generation process takes is very dependent on the system size.
Large systems need considerably longer than smaller systems. For very large
systems, a smaller molecule size should be considered.
Output
After model generation, a report, a GROMOS topology, a GROMOS coordinate file
and a PDB can be downloaded.
The structure is at a density of 500 kg/m
3, and needs to be
condensed further in an offline step.