2 package "RNAup" # don't use package if you're using automake
3 purpose "Calculate the thermodynamics of RNA-RNA interactions"
4 #usage "RNAup" [options]\n"
6 # Version of your program
7 #version "2.0" # don't use version if you're using automake
10 # command line options passed to gengetopt
11 args "--file-name=RNAup_cmdl --include-getopt --default-optional --func-name=RNAup_cmdline_parser --arg-struct-name=RNAup_args_info"
14 description "RNAup calculates the thermodynamics of RNA-RNA interactions, by decomposing the\
15 binding into two stages. (1) First the probability that a potential binding sites remains\
16 unpaired (equivalent to the free energy needed to open the site) is computed. (2) Then this\
17 accessibility is combined with the interaction energy to obtain the total binding energy.\
18 All calculations are done by computing partition functions over all possible conformations.\n"
22 section "General Options"
23 sectiondesc="Below are command line options which alter the general behavior of this program\n"
26 "Calculate structures subject to constraints.\n"
27 details="The program reads first the\
28 sequence(s), then a string containing constraints on the structure encoded with the symbols:\n\
29 . (no constraint for this base)\n
30 x (the base is unpaired)\n\
31 < (base i is paired with a base j>i) (solely used for calculation of unpaired regions)\n\
32 > (base i is paired with a base j<i) (solely used for calculation of unpaired regions)\n\
33 ( ) (base i pairs base j)\n\
34 | (the corresponding base has to be paired intermolecularily (works only in interaction mode)\n\n"
38 option "no_output_file" o
39 "Do not produce an output file\n\n"
44 "Do not produce a header with the command line parameters used in the outputfile\n\n"
49 "Do not automatically substitude nucleotide \"T\" with \"U\"\n\n"
53 section "Calculations of opening energies"
56 "specifies the length of the unstructured region in the output.\n"
57 details="The probability of being unpaired is plotted on the right border\
58 of the unpaired region. You can specify up to 20 different length values:\
59 use \"-\" to specify a range of continuous values (e.g. -u 4-8) or specify\
60 a list of comma separated values (e.g. -u 4,8,15).\n\n"
67 option "contributions" c
68 "Specify the contributions listed in the output\n"
69 details="By default only the full probability of being unpaired is plotted.\
70 The -c option allows to get the different contributions (c) to the probability\
71 of being unpaired: The full probability of being unpaired (\"S\" is the sum of\
72 the probability of being unpaired in the exterior loop (\"E\"), within a\
73 hairpin loop (\"H\"), within an interior loop (\"I\") and within a multiloop\
74 (\"M\"). Any combination of these letters may be given.\n\n"
80 section "Calculations of RNA-RNA interactions"
82 "Determine the maximal length of the region of interaction\n\n"
87 option "include_both" b
88 "Include the probability of unpaired regions in both (b) RNAs. By default
89 only the probability of being unpaired in the longer RNA (target) is used.\n\n"
94 "Extend the region of interaction in the target to some residues on the 5' side\n"
95 details="The underlying assumption is that it is favorable for an interaction if\
96 not only the direct region of contact is unpaired but also a few residues 5'\n\n"
101 "Extend the region of interaction in the target to some residues on the 3' side\n"
102 details="The underlying assumption is that it is favorable for an interaction if\
103 not only the direct region of contact is unpaired but also a few residues 3'\n\n"
107 option "interaction_pairwise" -
108 "Activate pairwise interaction mode\n"
109 details="The first sequence interacts with the 2nd, the third with the 4th etc.\
110 If activated, two interacting sequences may be given in a single line separated\
111 by \"&\" or each sequence may be given on an extra line.\n\n"
115 option "interaction_first" -
116 "Activate interaction mode using first sequence only\n"
117 details="The interaction of each sequence with the first one is calculated\
118 (e.g. interaction of one mRNA with many small RNAs). Each sequence has to be\
119 given on an extra line\n\n"
123 section "Model Details"
126 "In the calculation of the pf use scale*mfe as an estimate for the ensemble\
127 free energy (used to avoid overflows). The default is 1.07, useful values are 1.0 to 1.2. Occasionally needed\
128 for long sequences.\nYou can also recompile the program to use double precision (see the README file).\n\n"
134 "Rescale energy parameters to a temperature of temp C. Default is 37C.\n\n"
139 "Do not include special tabulated stabilizing energies for tri-, tetra- and hexaloop hairpins. Mostly for testing.\n\n"
144 "How to treat \"dangling end\" energies for bases adjacent to helices in free ends and multi-loops\n"
145 details="\nWith -d2 dangling energies will be added for the bases adjacent to a helix on both sides in any case.\n\
146 The option -d0 ignores dangling ends altogether (mostly for debugging).\n\n"
152 "Produce structures without lonely pairs (helices of length 1).\n"
153 details="For partition function folding this only disallows pairs that can only occur isolated. Other\
154 pairs may still occasionally occur as helices of length 1.\n\n"
159 "Do not allow GU pairs\n\n"
163 option "noClosingGU" -
164 "Do not allow GU pairs at the end of helices\n\n"
169 "Read energy parameters from paramfile, instead of using the default parameter set.\n"
170 details="A sample parameter file should accompany your distribution.\nSee the RNAlib\
171 documentation for details on the file format.\n\n"
177 "Allow other pairs in addition to the usual AU,GC,and GU pairs.\n"
178 details="Its argument is a comma separated list of additionally allowed pairs. If the\
179 first character is a \"-\" then AB will imply that AB and BA are allowed pairs.\ne.g.\
180 RNAfold -nsp -GA will allow GA and AG pairs. Nonstandard pairs are given 0 stacking\
186 option "energyModel" e
187 "Rarely used option to fold sequences from the artificial ABCD... alphabet, where\
188 A pairs B, C-D etc. Use the energy parameters for GC (-e 1) or AU (-e 2) pairs.\n\n"
193 text "\nIf in doubt our program is right, nature is at fault.\nComments should be sent to\
194 rna@tbi.univie.ac.at.\n"