RNAlocmin

NAME

SYNOPSIS

DESCRIPTION

Calculate local minima from structures via gradient walks. Example usage:

RNAsubopt -p 10000 < "sequence.txt" > "suboptp.txt" RNAlocmin -s "sequence.txt" [OPTIONS] < "suboptp.txt"

-h, --help

Print help and exit

--detailed-help

Print help, including all details and hidden options, and exit

--full-help

Print help, including hidden options, and exit

-V, --version

Print version and exit

General options:

-s, --seq=STRING

Sequence file in FASTA format. If the sequence is the first line of the input file, this is not needed (default=`seq.txt')

-p, --previous=STRING

Previously found LM (output from RNAlocmin or barriers), if specified does not need --seq option

-m, --move=STRING

Move set: I ==> insertion & deletion of base pairs S ==> I&D& switch of base pairs (possible values="I", "S" default=`I')

-n, --min-num=INT

Maximal number of local minima returned (0 == unlimited) (default=`100000')

--find-num=INT

Maximal number of local minima found (default = unlimited - crawl through whole input file)

-v, --verbose-lvl=INT

Level of verbosity (0 = nothing, 4 = full) WARNING: higher verbose levels increase the computation time (default=`0')

--depth=INT

Depth of findpath search (higher value increases running time linearly) (default=`10')

--minh=DOUBLE

Print only minima with energy barrier greater than this (default=`0.0')

--minh-lite

When flooding with --minh option, search for only saddle (do not search for a LM that is lower). Increases efficiency a tiny bit, but when turned on, the results may omit some non-shallow minima, especially with higher --minh value. (default=off)

-w, --walk=STRING

Walking method used D ==> gradient descent F ==> use first found lower energy structure R ==> use random lower energy structure (does not work with --noLP and -m S options) (possible values="D", "F", "R" default=`D')

--noLP

Work only with canonical RNA structures (w/o isolated base pairs, cannot be combined with ranodm walk ( -w R option) and shift move set ( -m S)) (default=off)

-e, --useEOS

Use energy_of_structure_pt calculation instead of energy_of_move (slower, it should not affect results) (default=off)

-P, --paramFile=STRING

Read energy parameters from paramfile, instead of using the default parameter set

-d, --dangles=INT

How to treat "dangling end" energies for bases adjacent to helices in free ends and multi-loops

(default=`2')

With -d1 only unpaired bases can participate in at most one dangling end, this is the default for mfe folding but unsupported for the partition function folding.

With -d2 this check is ignored, dangling energies will be added for the bases adjacent to a helix on both sides in any case; this is the default for partition function folding ( -p). The option -d0 ignores dangling ends altogether (mostly for debugging). With -d3 mfe folding will allow coaxial stacking of adjacent helices in multi-loops. At the moment the implementation will not allow coaxial stacking of the two interior pairs in a loop of degree 3 and works only for mfe folding.

Note that by default (as well as with -d1 and -d3) pf and mfe folding treat dangling ends differently. Use -d2 in addition to -p to ensure that both algorithms use the same energy model.

--fix-barriers=STRING

Fix barrier file for interior loops (just recompute if all LM in barrier output are LM), if specified, does not need neither --previous nor --seq option

-k, --pseudoknots

Allow for pseudoknots according to "gfold" model - H, K, L, and M types (genus one) of pseudoknots are allowed (increases computation time greatly), cannot be combined with shift move set ( -m S) (default=off)

--just-read

Do not expect input from stdin, just do postprocessing. (default=off)

-N, --neighborhood

Use the Neighborhood routines to perform gradient descend. Cannot be combined with shift move set ( -m S) and pseudoknots (-k). Test option. (default=off)

--degeneracy-off

Do not deal with degeneracy, select the lexicographically first from the same energy neighbors. (default=off)

--just-output

Do not store the minima and optimize, just compute directly minima and output them. Output file can contain duplicates. (default=off)

Barrier tree:

-b, --bartree

Generate an approximate barrier tree. (default=off)

--barr-name=STRING

Name of barrier tree output file, switches on -b flag. (default=`treeRNAloc.ps')

Kinetics (rates for treekin program):

--barrier-file=STRING

File for saddle heights between LM (simulates the output format of barriers program)

-r, --rates

Create rates for treekin (default=off)

-f, --rates-file=STRING

File where to write rates, switches on -r flag (default=`rates.out')

-T, --temp=DOUBLE

Temperature in Celsius (only for rates) (default=`37.0')

Flooding parameters (flooding occurs only with -r, -b, or --minh option):

--floodPortion=DOUBLE

Fraction of minima to flood (floods first minima with low number of inwalking sample structures) (0.0 -> no flood; 1.0 -> try to flood all) Usable only with -r or -b options. (default=`0.95')

--floodMax=INT

Flood cap - how many structures to flood in one basin (default=`1000')

Miscelaneous:

--numIntervals=INT

Number of intervals for Jing's visualisation (default=`0')

--eRange=FLOAT

Report only LM, which energy is in range <MFE (or lowest found LM), MFE+eRange> in kcal/mol.

--allegiance=STRING

Filename where to output the allegiance of structures. Works properly only with RNAsubopt -e list.