Mercurial > repos > fgiacomoni > xseekerpreparator
diff README.md @ 1:c5d524c1db86 draft default tip
Deleted selected files - deprecated repo
author | fgiacomoni |
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date | Wed, 25 Nov 2020 13:19:41 +0000 |
parents | 1660665c081e |
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--- a/README.md Thu Nov 19 14:28:46 2020 +0000 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,115 +0,0 @@ -INTRODUCTION -============ - -This tool is part of the xcms/camera/XSeeker workflow, and it inserts -between camera and XSeeker. It takes in input a rdata producd by camera, -gather some data from mzxml original files, and create a database -containing all these informations organized in such a way that XSeeker -has just to display the data without manipulating them anymore, which -makes it a lot faster and easier to use. - - -PREREQUISITES -============= -There is not real preriquesite to understand how this tool works -and to modify it. There is a single R script - XSeekerPreparator.R - that do -all the work. - -You can make this tool work alone, but you can integrate it with galaxy. -In this case, you need to have a galaxy instance you can configure. -It is also recomended to have access to the datatypes definitions (in -the python files) to make the outputs recognized by galaxy as XSeeker's -database files. - - -DESIGN -====== -This tool is very simple and does a little number of things, so there is -only a single file: XSeekerPreparator.R . -There is a test/test.sh file that can be used as an example to know how -to use this tool. - -You will find the galaxy patches in the galaxy/ directory. These files -are not meant to be copy/paste-ed. The content of these files must be -added to the existing files of your galaxy instance - - -REQUIREMENT -===== - - - R-4.0.0 - - optparse - - xcms - - blob - - fst - - DBModelR - - stringr - - optparse - - galaxy (optional) - -#### R 4.0.0 - - `export R_MAJOR=4 R_VERSION=4.0.0 BUILD_TARGET_DIR=~/R/` - - `wget https://cran.rstudio.com/src/base/R-${R_MAJOR}/R-${R_VERSION}.tar.gz` - - `tar -xf "R-${R_VERSION}.tar.gz"` - - `cd ./R-${R_VERSION}/` - - `./configure --prefix="${BUILD_TARGET_DIR}" --with-readline="no" --with-x="no"` - - `export CC="gcc -fPIC"` - - `make` - - `make install` - -#### Packages -```bash -~/R/bin/R -e " -install.packages( - c( - 'optparse', - 'blob', - 'fst', - 'stringr', - 'optparse', - 'RSQLite', - 'remotes', - 'BiocManager' - ), repos='https://cloud.r-project.org' -)" && \ -~/R/bin/R -e ' - remotes::install_github("LainPavot/DBModelR", force=TRUE) -' && \ -~/R/bin/R -e ' - BiocManager::install("xcms") -' -``` - -#### galaxy -```bash -git clone https://github.com/galaxyproject/galaxy -``` - -DEPLOY -===== - -Install the tool in galaxy: -Open each file in the galaxy/ directory and copy their content to their -respective files in your galaxy instance. -Copy XSeekerPreparator.R in galaxy/tool/tools/LC-MSMS/ - -METADATA --------- - - - **@name**: XSeekerPreparator - - **@version**: 1.1.2 - - **@authors**: Lain Pavot - - **@date creation**: 15/09/2020 - -NOTES ------ -Developed and tested using: - - - R 4.0.0 - - optparse 1.6.6 - - xcms 3.10.2 - - blob 1.2.1 - - fst 0.9.4 - - DBModelR - - stringr 1.4.0 - - galaxy 21.01 \ No newline at end of file