The Nucleic Acid Package (NUPACK) is a growing software suite for the analysis and design of nucleic acid systems. Jobs can be run online on the NUPACK webserver or NUPACK source code can be downloaded and compiled locally for non-commercial academic use. NUPACK algorithms are formulated in terms of nucleic acid secondary structure. In most cases, pseudoknots are excluded from the structural ensemble. The secondary structure of multiple interacting strands is defined by a list of base pairs. A polymer graph for a secondary structure can be constructed by ordering the strands around a circle, drawing the backbones in succession from 5’ to 3’ around the circumference with a nick between each strand, and drawing straight lines connecting paired bases. A secondary structure is pseudoknotted if every strand ordering corresponds to a polymer graph with crossing lines. A secondary structure is connected if no subset of the strands is free of the others. Algorithms are formulated in terms of ordered complexes, each corresponding to the structural ensemble of all connected polymer graphs with no crossing lines for a particular ordering of a set of strands. The free energy of an unpseudoknotted secondary structure is calculated using nearest-neighbor empirical parameters for RNA in 1M Na+ or for DNA in user-specified Na+ and Mg++ concentrations; added parameters are employed for the analysis of pseudoknots (single RNA strands only). More information...
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