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calSOV

Description

calculate the Segment Overlap Score (SOV) score for the predicted secondary structures

Author

Nanjiang Shu

Email: [email protected]

Reference

Zemla A, Venclovas C, Fidelis K, Rost B., "A modified definition of Sov, a segment-based measure for protein secondary structure prediction assessment.", Proteins, 1999, 34(2), pp. 220-3

Note: when the observed secondary structure contains unknown structures, the calculation might be different compared to e.g. SOV_refine.

Installation

This installation has been tested on Ubuntu and CentOS Requirement: g++

	make

	make install

If need to be installed to a customized location

	make "BINPATH=/your/path" install

Usage

Usage: calSOV [options] file1 file2 ...
OPTIONS:
  -o, --out <outfile>  : output the result to outfile, (default = stdout)
  -l, --list listfile  : set the file containing a list of predicted files
  -f, --format 0|1|2|3 : set the format of the input file, (default = 1)
  -q3, --isOutQ3 yes|no: wheter output q3, (default = yes)
  -m, --method  0|1|2|3: set the method to get predicted secondary structure state from Res file, (default = 1)
  -statq3              : anylyze the Q3 for residues predicted at different confidences 
  -chkfstdir           : folder to which Res from checkfirst program are stored, this need to be supplied when -statq3 is enabled 
  -selconf     0|1     : selection of the confidence, (default = 0) 
                       : 0 -- raw confidence, 1 -- normalized confidence 
  -binwidth <real>     : set halfbinwidth, (default = 1.0) 
  -max, --max-length   : set the max length of the sequence, (default = 200000)
  -proof, --proof      : enable proof reading
  -proofmethod int     : set the method for proof reading, (default = 0)
  -polypara a1 a2 a3   : input three parameters for polynormail function which normalize the confidence
                       : default a1=-0.007100 , a2 = 1.808400 , a3 = -11.400000 
  -h, --help           : print this help message and exit

Created on 2009-07-23, updated 2016-11-03, Nanjiang Shu

Format description of input file:
    Format 0: prediction Res* file
    Format 1: AA OSEC PSEC NUM
    Format 2: Fasta format, >AA, >OSEC, >PSEC, order not important

Examples:
    ./calSOV -f 2 test/test1_f2.txt  # the same example as in the reference
    ./calSOV -f 2 test/test2_f2.txt
    ./calSOV -f 1 test/16VPA.psipred.format_1.txt

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calsov's Issues

Possible miscalculation

Hi,
I was implementing SOV score calculator as well and I tried to compare my results with yours (as a sort of back check) and I found out they differ. So I dug deeper and I think there might be some error in your calculation.

For example, according to original article1 about SOV score, for observation RREEERRRRRREEEEEERRR and prediction RRRRRRREEEEERRREERRR the calculated SOV score should be equal 39.4. But your program returns 42.56.

I haven't tried to look for the exact code section causing this.

Have a good day and thank you for publishing your code. :) It helped me.

Michal

[1] : A Zemla, C Venclovas, K Fidelis, and B Rost. A modified definition of sov, a segment-based measure for protein secondary structure prediction assessment. Proteins, 34(2):220โ€“3, 1999.

Script is causing Segmentation fault (core dumped)

The binary runs and produces SOV score output, thanks for that.

Leaving BINPATH in Makefile as /usr/bin/local didn't work for me as I am not root. Changing BINPATH to $HOME/bin worked, but I wanted it specifically in my conda environment.

Hence, I changed BINPATH to the binpath of my conda environment.

After doing so, when I try to run perl: ($ perl --version) I get the error: segmentation fault (core dumped),

Repeating the ($ MY_BINARY --version) command, where MY_BINARY is any binary installed in my conda environment, causes segmentation fault.

The issue is specific with my conda environment, other environments are fine.

Could there be an issue with the calSOV.cpp

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