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NAPSS

NAPSS is used to improve the prediction of an RNA secondary structure by integrating NMR data.

Note that on Macintosh OS X, and some versions of Linux, there is a small default stack limit. To run NAPSS, the stack limit needs to be increased.
On the default shell, bash, use ulimit -s 8912 or higher, depending on your system configuration.
If you are using tcsh, use limit stack 4096 or higher, depending on your system configuration.
The limits can be increased as necessary if the given values above are not sufficient.

USAGE: NAPSS <seq file> <NMR file> <ct file> [options]

Required parameters:

<seq file> The name of a sequence file containing input data.
??Note that lowercase nucleotides are forced single-stranded in structure prediction.??
<NMR file> The name of an NMR file with constraings.
<ct file> The name of a CT file to which output will be written.

Options that do not require added values:

-h, -H, --help Display the usage details message.
-pf, -PF, --pseudoknotFree Specify that the sequence is DNA, and DNA parameters are to be used.
Default is to use RNA parameters.
-v, -V, --version Display version and copyright information for this interface.

Options that require added values:

-c, -C, --constraint Specify a folding constraints file to be applied. For Fold, current supported constraints are force pairs, force a nucleotide to be single stranded, and force a nucleotide to be double stranded.
Default is to have no constraints applied.
-d, -D, --DotPercent Specify a maximum percent energy difference to consider in the dotplot.
Default is 5 percent.
-m, -M, --maximum Specify a maximum number of structures per matched constraint set.
Default is 100 structures.
-p, -P, --percent Specify a maximum percent energy difference. For example, 20 would indicate 20%.
Default is 0 which means that all structures are outputted.
-pp, -PP, --posPaired Specify the name of the positions paired style output file.
Default is to have no file specified.
-sh, -SH, --SHAPE Specify a SHAPE data file to be used to generate restraints. These restraints specificially use SHAPE pseudoenergy restraints.
Default is no SHAPE data file specified.
-si, -SI, --SHAPEintercept Specify an intercept used with SHAPE restraints.
Default is -0.6 kcal/mol.
-sm, -SM, --SHAPEslope Specify a slope used with SHAPE restraints.
Default is 1.8 kcal/mol.
-w, -W, --window Specify a window size.
Default is 0 nucleotides.

References:

  1. Reuter, J.S. and Mathews, D.H.
    "RNAstructure: software for RNA secondary structure prediction and analysis."
    BMC Bioinformatics, 11:129. (2010).
  2. Hart, J.M., Kennedy, S.D., Mathews, D.H. and Turner, D.H.
    "NMR-assisted prediction of RNA secondary structure: identification of a probable pseudoknot in the coding region of an R2 retrotransposon."
    J. Am. Chem. Soc., 130:10233-10239. (2008).