diff options
author | Matteo Bernardini <ponce@slackbuilds.org> | 2022-02-27 09:03:24 +0100 |
---|---|---|
committer | Robby Workman <rworkman@slackbuilds.org> | 2022-02-27 22:29:03 -0600 |
commit | 6d28fa08b1b29c23f80dbb059a801d6ce55ae124 (patch) | |
tree | 9e57df1db5ff354aff7270c0f17bc15f28d7c2b9 /academic | |
parent | 7a9d94eb690944a6c8dbb832744a1c85728c3986 (diff) |
academic/vCAPS_coevolution: Removed (ftb + no active maintainer).
Signed-off-by: Matteo Bernardini <ponce@slackbuilds.org>
Diffstat (limited to 'academic')
-rw-r--r-- | academic/vCAPS_coevolution/README | 32 | ||||
-rw-r--r-- | academic/vCAPS_coevolution/References | 14 | ||||
-rw-r--r-- | academic/vCAPS_coevolution/caps_verbose.patch | 114 | ||||
-rw-r--r-- | academic/vCAPS_coevolution/slack-desc | 19 | ||||
-rw-r--r-- | academic/vCAPS_coevolution/vCAPS_coevolution.SlackBuild | 126 | ||||
-rw-r--r-- | academic/vCAPS_coevolution/vCAPS_coevolution.info | 10 |
6 files changed, 0 insertions, 315 deletions
diff --git a/academic/vCAPS_coevolution/README b/academic/vCAPS_coevolution/README deleted file mode 100644 index 27ebb623a0450..0000000000000 --- a/academic/vCAPS_coevolution/README +++ /dev/null @@ -1,32 +0,0 @@ -vCAPS: (verbose) Coevolution Analysis using Protein Sequences - -CAPS is aimed at measuring the coevolution between amino acid sites -belonging to the same protein (intra-molecular coevolution) or to two -functionally or physically interacting proteins (inter-molecular -coevolution). The Software implements an improved method to detect -intra-molecular coevolution as published in Genetics (Fares and Travers, -2006) and also inter-protein coevolution analysis. The improved scoring -of amino acid sites is obtained by maximum likelihood ancestral state -reconstruction along with simulations to assess significance. - -In addition, a test which assesses whether two proteins are interacting -is implemented. - -NOTE: -This applies an _unofficial_ patch to enable more verbose output of the -program, including CAPS generated phylogenetic trees and p-values of the -pairwise results. The produced executable is called "vCAPS" and can be -installed along "caps" from CAPS_coevolution. Building CAPS from source -requires the Bio++ 1.9 suite, also available at SBo, which can be safely -installed along the current version. Fore details of the patch see pre- -print at bioRxiv by Petrov et al.: -https://doi.org/10.1101/2020.09.29.315374 - -CITING: -CAPS: coevolution analysis using protein sequences. Fares MA, McNally D. -Bioinformatics. 2006 Nov 15;22(22):2821-2. PMID: 17005535 - -The mathematical model has been described separately: -A novel method for detecting intramolecular coevolution: adding a -further dimension to selective constraints analyses. Fares MA, Travers -SA. Genetics. 2006 May;173(1):9-23. PMID: 16547113 diff --git a/academic/vCAPS_coevolution/References b/academic/vCAPS_coevolution/References deleted file mode 100644 index e8236cd282c47..0000000000000 --- a/academic/vCAPS_coevolution/References +++ /dev/null @@ -1,14 +0,0 @@ -If you use CAPS in your research, please include the following citations: - -CAPS: coevolution analysis using protein sequences. -Fares MA, McNally D. -Bioinformatics. 2006 Nov 15;22(22):2821-2. -PMID: 17005535 -https://www.ncbi.nlm.nih.gov/pubmed/17005535 - -The mathematical model has been described separately: -A novel method for detecting intramolecular coevolution: adding a further dimension to selective constraints analyses. -Fares MA, Travers SA. -Genetics. 2006 May;173(1):9-23. -PMID: 16547113 -https://www.ncbi.nlm.nih.gov/pubmed/16547113 diff --git a/academic/vCAPS_coevolution/caps_verbose.patch b/academic/vCAPS_coevolution/caps_verbose.patch deleted file mode 100644 index 7f64d80f34f84..0000000000000 --- a/academic/vCAPS_coevolution/caps_verbose.patch +++ /dev/null @@ -1,114 +0,0 @@ -diff -pruN orig/caps.cpp new/caps.cpp ---- orig/caps.cpp 2012-12-15 17:13:23.000000000 +0200 -+++ new/caps.cpp 2020-09-09 23:07:46.080566000 +0300 -@@ -14,7 +14,7 @@ - #include <gsl/gsl_statistics.h> - #include<sys/time.h> - #include<iomanip> -- -+#include <bits/stdc++.h> - - - -@@ -69,6 +69,8 @@ - const gsl_rng_type * T; - gsl_rng *r; - -+vector<double> totaltempnew; -+double alphathresh = 0; - int main(int argc, char *argv[]){ - - -@@ -543,16 +545,27 @@ int main(int argc, char *argv[]){ - - - print_splash(output); -+ OUTPUT << "\n\File1: " << files[i] << endl; - vec1.print_to_fasta(output.c_str()); -+ OUTPUT << "\n\nFile2: " << files[j] << endl; - vec2.print_to_fasta(output.c_str()); - int length1 = vec1.sequences[0].length(); - int length2 = vec2.sequences[0].length(); - -+ OUTPUT << "\n\nLength1: " << length1 << endl; -+ OUTPUT << "Length2: " << length2 << endl; - - - if(tree_in ==0){ - tree1 = create_input_tree(vec1.names, vec1.sequences); - tree2 = create_input_tree(vec2.names, vec2.sequences); -+ -+ // Output the CAPS generated trees to the .out file of each pair -+ string temptre1 = TreeTemplateTools::treeToParenthesis(*tree1, true); -+ string temptre2 = TreeTemplateTools::treeToParenthesis(*tree2, true); -+ OUTPUT << "\n" << endl; -+ OUTPUT << "CAPS generated tree 1: " << temptre1 << endl; -+ OUTPUT << "CAPS generated tree 2: " << temptre2 << endl; - }/*else if(tree_in ==1 && variable==1){ - - std::auto_ptr<DistanceMatrix> DS; -@@ -666,6 +679,7 @@ int main(int argc, char *argv[]){ - int value = floor(((totaltemp.size())*(1-(threshval))))+1; - - threshold = totaltemp[value]; -+ totaltempnew = totaltemp; - - - /*=======================================================*/ -@@ -870,6 +884,30 @@ int Chi_squared (int num_pairs, int num_ - - } /* ----- end of function Chi_squared ----- */ - -+/* -+ * === FUNCTION ====================================================================== -+ * Name: find_alpha -+ * Description: Find the index of an element in a vector totaltemp -+ * Help from: https://www.geeksforgeeks.org/how-to-find-index-of-a-given-element-in-a-vector-in-cpp/ -+ * https://stackoverflow.com/questions/8647635/elegant-way-to-find-closest-value-in-a-vector-from-above -+ * Author: Petar Petrov, University of Turku (Finland); pebope@utu.fi -+ * ===================================================================================== -+ */ -+double getIndex(std::vector<double> const& v, double K) -+{ -+ auto const it = std::lower_bound(v.begin(), v.end(), fabs(K)); -+ //auto it = std::upper_bound(v.begin(), v.end(), fabs(K)); -+ -+ if (it != v.end()) { -+ int index = distance(v.begin(), it); -+ alphathresh = (((int)1+(double)v.size()-(int)index)/(double)v.size()); -+ return alphathresh; -+ //cerr << index << "\t" << alphathresh << endl; -+ } -+ else { -+ cerr << "ELEMENT NOT FOUND!" << endl; -+ } -+} - - - -@@ -890,9 +928,9 @@ int print_inter(vector<double>& Correl1, - output << endl << endl; - - output << "Coevolving Pairs of amino acid sites\n"; -- output << "=============================================================================\n"; -- output << "Col1(real)\tCol2(real)\tDmean1\t\tDmean2\t\tCorrelation\tBootstrap value\n\n"; -- output << "=============================================================================\n"; -+ output << "================================================================================================================================\n"; -+ output << "Col1(real)\tCol2(real)\tDmean1\t\tDmean2\t\tCorrelation\tBootstrap value\tP-value1\tP-value2\tMean P-value\tCorrelation1\tCorrelation2\n\n"; -+ output << "================================================================================================================================\n"; - - //double mean = average_vec<double>(Correl); - //double SD = SD_vf(Correl, mean); -@@ -951,9 +989,11 @@ int print_inter(vector<double>& Correl1, - - // } - -+ double Alpha1 = getIndex(totaltempnew, Correl1[cor]); -+ double Alpha2 = getIndex(totaltempnew, Correl2[cor]); - //if(bootval>=bootcut && re1<=8 && re2<=8 ){ - if(bootval>=bootcut){ -- output << i+1 << "(" << i-gaps1+1 << ")\t\t" << j+1 << "(" << (j+1)-gaps2 << ")\t\t" << averDi << "\t\t" << averDj << "\t\t" << (Correl1[cor]+Correl2[cor])/2 << "\t" << bootval << endl; -+ output << i+1 << "(" << i-gaps1+1 << ")\t\t" << j+1 << "(" << (j+1)-gaps2 << ")\t\t" << averDi << "\t\t" << averDj << "\t" << (Correl1[cor]+Correl2[cor])/2 << "\t" << bootval << "\t" << Alpha1 << "\t" << Alpha2 << "\t" << (Alpha1+Alpha2)/2 << "\t" << Correl1[cor] << "\t" << Correl2[cor] << endl; - signif.push_back(((Correl1[cor]+Correl2[cor])/2)); - ++pairs; - vector<int> tem; diff --git a/academic/vCAPS_coevolution/slack-desc b/academic/vCAPS_coevolution/slack-desc deleted file mode 100644 index 5cd78f0770b38..0000000000000 --- a/academic/vCAPS_coevolution/slack-desc +++ /dev/null @@ -1,19 +0,0 @@ -# HOW TO EDIT THIS FILE: -# The "handy ruler" below makes it easier to edit a package description. -# Line up the first '|' above the ':' following the base package name, and -# the '|' on the right side marks the last column you can put a character in. -# You must make exactly 11 lines for the formatting to be correct. It's also -# customary to leave one space after the ':' except on otherwise blank lines. - - |-----handy-ruler------------------------------------------------------| -vCAPS_coevolution: vCAPS_coevolution (Coevolution Analysis using Protein Sequences) -vCAPS_coevolution: -vCAPS_coevolution: CAPS is aimed at measuring the coevolution between amino acid -vCAPS_coevolution: sites belonging to the same protein (intra-molecular coevolution) -vCAPS_coevolution: or to two functionally or physically interacting proteins (inter- -vCAPS_coevolution: molecular coevolution). In addition, a test which assesses -vCAPS_coevolution: whether two proteins are interacting is implemented. -vCAPS_coevolution: -vCAPS_coevolution: Home: http://bioinf.gen.tcd.ie/~faresm/software/software.html -vCAPS_coevolution: -vCAPS_coevolution: diff --git a/academic/vCAPS_coevolution/vCAPS_coevolution.SlackBuild b/academic/vCAPS_coevolution/vCAPS_coevolution.SlackBuild deleted file mode 100644 index 9b000762b13a1..0000000000000 --- a/academic/vCAPS_coevolution/vCAPS_coevolution.SlackBuild +++ /dev/null @@ -1,126 +0,0 @@ -#!/bin/bash - -# Slackware build script for vCAPS_coevolution - -# Copyright 2020-2021 Petar Petrov slackalaxy@gmail.com -# All rights reserved. -# -# Redistribution and use of this script, with or without modification, is -# permitted provided that the following conditions are met: -# -# 1. Redistributions of this script must retain the above copyright -# notice, this list of conditions and the following disclaimer. -# -# THIS SOFTWARE IS PROVIDED BY THE AUTHOR "AS IS" AND ANY EXPRESS OR IMPLIED -# WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF -# MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO -# EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, -# SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -# PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; -# OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, -# WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR -# OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF -# ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. - -cd $(dirname $0) ; CWD=$(pwd) - -PRGNAM=vCAPS_coevolution -VERSION=${VERSION:-2.0_1UN} -BUILD=${BUILD:-1} -TAG=${TAG:-_SBo} -PKGTYPE=${PKGTYPE:-tgz} - -SRCNAM=caps -SRCVER=2.0 -BINNAM=vCAPS - -if [ -z "$ARCH" ]; then - case "$( uname -m )" in - i?86) ARCH=i586 ;; - arm*) ARCH=arm ;; - *) ARCH=$( uname -m ) ;; - esac -fi - -# If the variable PRINT_PACKAGE_NAME is set, then this script will report what -# the name of the created package would be, and then exit. This information -# could be useful to other scripts. -if [ ! -z "${PRINT_PACKAGE_NAME}" ]; then - echo "$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.$PKGTYPE" - exit 0 -fi - -TMP=${TMP:-/tmp/SBo} -PKG=$TMP/package-$PRGNAM -OUTPUT=${OUTPUT:-/tmp} - -if [ "$ARCH" = "i586" ]; then - SLKCFLAGS="-O2 -march=i586 -mtune=i686" - LIBDIRSUFFIX="" -elif [ "$ARCH" = "i686" ]; then - SLKCFLAGS="-O2 -march=i686 -mtune=i686" - LIBDIRSUFFIX="" -elif [ "$ARCH" = "x86_64" ]; then - SLKCFLAGS="-O2 -fPIC" - LIBDIRSUFFIX="64" -else - SLKCFLAGS="-O2" - LIBDIRSUFFIX="" -fi - -# This is needed for vCAPS to find its libraries at runtime. Thanks Urchlay! -LIBDIRPATH="-Wl,-rpath,/usr/lib${LIBDIRSUFFIX}/Bpp1.9" - -set -e - -rm -rf $PKG -mkdir -p $TMP $PKG $OUTPUT -cd $TMP -rm -rf ${SRCNAM}${SRCVER}_src -unzip $CWD/${SRCNAM}2_src.zip -cd ${SRCNAM}${SRCVER}_src -chown -R root:root . -find -L . \ - \( -perm 777 -o -perm 775 -o -perm 750 -o -perm 711 -o -perm 555 \ - -o -perm 511 \) -exec chmod 755 {} \; -o \ - \( -perm 666 -o -perm 664 -o -perm 640 -o -perm 600 -o -perm 444 \ - -o -perm 440 -o -perm 400 \) -exec chmod 644 {} \; - -# This is needed for gcc in Slackware 14.2 -sed -i "s:CC=g++ -g:CC=g++ -g -std=c++11:" Makefile - -# Use our CFLAGS and the custom (legacy) lib path -sed -i "s:CFLAGS=:CFLAGS=$SLKCFLAGS $LIBDIRPATH:" Makefile - -# Find the legacy bpp libraries -sed -i "s:-lbpp-phyl:-L/usr/lib${LIBDIRSUFFIX}/Bpp1.9 -lbpp-phyl:g" Makefile -sed -i "s:-lbpp-numcalc:-L/usr/lib64${LIBDIRSUFFIX}/Bpp1.9 -lbpp-numcalc:g" Makefile -sed -i "s:-lbpp-utils:-L/usr/lib64${LIBDIRSUFFIX}/Bpp1.9 -lbpp-utils:g" Makefile -sed -i "s:-lbpp-seq:-L/usr/lib64${LIBDIRSUFFIX}/Bpp1.9 -lbpp-seq:g" Makefile - -# Rename the produced executable -sed -i "s:-o caps:-o $BINNAM:" Makefile - -# Use our unofficial patch -patch -p1 -i $CWD/caps_verbose.patch - -make all - -# Install the binary produced from our patched source, as "vCAPS" -install -D -m755 $BINNAM $PKG/usr/bin/$BINNAM - -mkdir -p $PKG/usr/share/$PRGNAM -cp -a sample structures trees TLR1.fa.out $PKG/usr/share/$PRGNAM - -mkdir -p $PKG/usr/doc/$PRGNAM-$VERSION -cp -a \ - caps_manual.pdf \ - $PKG/usr/doc/$PRGNAM-$VERSION -cat $CWD/$PRGNAM.SlackBuild > $PKG/usr/doc/$PRGNAM-$VERSION/$PRGNAM.SlackBuild -cat $CWD/References > $PKG/usr/doc/$PRGNAM-$VERSION/References - -mkdir -p $PKG/install -cat $CWD/slack-desc > $PKG/install/slack-desc - -cd $PKG -/sbin/makepkg -l y -c n $OUTPUT/$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.$PKGTYPE diff --git a/academic/vCAPS_coevolution/vCAPS_coevolution.info b/academic/vCAPS_coevolution/vCAPS_coevolution.info deleted file mode 100644 index 84ebd91d4cf36..0000000000000 --- a/academic/vCAPS_coevolution/vCAPS_coevolution.info +++ /dev/null @@ -1,10 +0,0 @@ -PRGNAM="vCAPS_coevolution" -VERSION="2.0_1UN" -HOMEPAGE="http://bioinf.gen.tcd.ie/~faresm/software/software.html" -DOWNLOAD="http://bioinf.gen.tcd.ie/~faresm/software/files/caps2_src.zip" -MD5SUM="0914007c32ed22a9cb8a47b55cd18a39" -DOWNLOAD_x86_64="" -MD5SUM_x86_64="" -REQUIRES="bpp1.9-phyl" -MAINTAINER="Petar Petrov" -EMAIL="slackalaxy@gmail.com" |