Mercurial > repos > lain > xseekerpreparator
diff README.md @ 0:a174cbbb12dd draft
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author | lain |
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date | Tue, 24 Nov 2020 18:55:08 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.md Tue Nov 24 18:55:08 2020 +0000 @@ -0,0 +1,115 @@ +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