# Name of your program
package "RNApdist" # don't use package if you're using automake

purpose "Calculate distances between thermodynamic RNA secondary structures ensembles"

#usage "RNApdist [options]\n"
#version "2.0"   # don't use version if you're using automake


# command line options passed to gengetopt
args "--file-name=RNApdist_cmdl --include-getopt --default-optional --func-name=RNApdist_cmdline_parser --arg-struct-name=RNApdist_args_info"


description "This program reads RNA sequences from stdin and calculates structure\
 distances between the thermodynamic ensembles of their secondary structures.\n"

# Options

section "I/O Options"
sectiondesc="Command line options for input and output (pre-)processing\n\n"

option  "noconv"  -
"Do not automatically substitute nucleotide \"T\" with \"U\".\n\n"
flag
off

section "Algorithms"
sectiondesc="Select additional algorithms which should be included in the calculations.\n\n"

option    "compare"     X
"Specify the comparison directive.\n"
details="Possible arguments for this option are: -Xp compare the structures\
 pairwise (p), i.e. first with 2nd, third with 4th etc.\n-Xm calculate the\
 distance matrix between all structures. The output is formatted as a lower\
 triangle matrix.\n-Xf compare each structure to the first one.\n-Xc compare\
 continuously, that is i-th with (i+1)th structure.\n\n"
string
typestr="p|m|f|c"
default="p"
optional

option  "backtrack"     B
"Print an \"alignment\" with gaps of the profiles. The aligned structures\
 are written to <filename>, if specified.\n"
details="Within the profile output, the following symbols will be used:\n\n\
 ()  essentially upstream (downstream) paired bases\n\n\
 {}  weakly upstream (downstream) paired bases\n\n\
 |    strongly paired bases without preference\n\n\
 ,    weakly paired bases without preference\n\n\
 .    essentially unpaired bases.\n\n\
 If <filename> is not specified, the output is written to stdout,\
 unless the \"-Xm\" option is set in which case \"backtrack.file\" is used.\n\n"
string
typestr="<filename>"
argoptional
default="none"
optional


section "Energy Parameters"
sectiondesc="Energy parameter sets can be adapted or loaded from user-provided input files\n\n"

option  "temp"  T
"Rescale energy parameters to a temperature of temp C. Default is 37C.\n\n"
double
default="37.0"
optional

option  "paramFile" P
"Read energy parameters from paramfile, instead of using the default parameter set.\n"
details="Different sets of energy parameters for RNA and DNA should accompany your distribution.\nSee the\
 RNAlib documentation for details on the file format. When passing the placeholder file name \"DNA\",\
 DNA parameters are loaded without the need to actually specify any input file.\n\n"
string
typestr="paramfile"
optional

option  "noTetra" 4
"Do not include special tabulated stabilizing energies for tri-, tetra- and hexaloop hairpins.\n"
details="Mostly for testing.\n\n"
flag
off
hidden

option  "salt" -
"Set salt concentration in molar (M). Default is 1.021M.\n\n"
double
optional


section "Model Details"
sectiondesc="Tweak the energy model and pairing rules additionally using the following parameters\n\n"

option  "dangles" d
"set energy model for treatment of dangling bases.\n\n"
int
default="2" 
values="0","2"

option  "noLP"  -
"Produce structures without lonely pairs (helices of length 1).\n"
details="For partition function folding this only disallows pairs that can only occur isolated. Other\
 pairs may still occasionally occur as helices of length 1.\n\n"
flag
off

option  "noGU"  -
"Do not allow GU pairs.\n\n"
flag
off
hidden

option  "noClosingGU" -
"Do not allow GU pairs at the end of helices.\n\n"
flag
off
hidden

option  "nsp" -
"Allow other pairs in addition to the usual AU,GC,and GU pairs.\n"
details="Its argument is a comma separated list of additionally allowed pairs. If the\
 first character is a \"-\" then AB will imply that AB and BA are allowed pairs.\ne.g.\
 RNAfold -nsp -GA  will allow GA and AG pairs. Nonstandard pairs are given 0 stacking\
 energy.\n\n"
string
optional
hidden

option  "energyModel" e
"Set energy model.\n"
details="Rarely used option to fold sequences from the artificial ABCD... alphabet, where\
 A pairs B, C-D etc.  Use the energy parameters for GC (-e 1) or AU (-e 2) pairs.\n\n"
int
optional
hidden

option  "helical-rise"  -
"Set the helical rise of the helix in units of Angstrom.\n"
details="Use with caution! This value will be re-set automatically to 3.4 in case DNA\
 parameters are loaded via -P DNA and no further value is provided.\n\n"
float
optional
default="2.8"
hidden

option  "backbone-length"  -
"Set the average backbone length for looped regions in units of Angstrom.\n"
details="Use with caution! This value will be re-set automatically to 6.76 in case DNA\
 parameters are loaded via -P DNA and no further value is provided.\n\n"
float
optional
default="6.0"
hidden


text    "\nIf in doubt our program is right, nature is at fault.\nComments should be sent to\
 rna@tbi.univie.ac.at.\n\n"
