freebsd-ports/science/datawarrior/pkg-descr

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DataWarrior is an interactive, chemistry-aware multi-purpose data visualization
and analysis program. It works on any kind of tabular data assuming rows to
contain objects or cases and columns to contain associated properties and
values. DataWarrior provides interactive views to visualize data, to discover
correlations and to extract hidden knowledge from large data sets. Data filters
allow focusing on specific data subsets in a dynamic way. Chemical intelligence
is woven into the program to work with chemical structures as easily as with
numerical values. Data can be filtered on structural motives, views are
chemistry aware, molecule properties can be predicted from chemical structures,
and specialized cheminformatics methods explore the relationship between
chemical structure and measured properties. DataWarrior supports multiple files
types and allows merging data from files with data from the clipboard or from
databases.
WWW: http://www.openmolecules.org/