maldisoft/README.md

Maldisoft cmdline usage tutorial

Create the data and html directories:

mkdir data
mkdir html

Inside the data directory you MUST create a sub directory for the data that you want to analyze together. Then, inside the html directory you MUST also create a subdirectory where the results will be written.

For example if you plan to analize data from the database nih:

mkdir data/nih
mkdir html/nih

Copy inside data/nih the data to be analyzed.

The list of peaks that you want to analyze is inside the file peaks.txt. If you want to remove or add a new peak just follow the same one column format that is inside the file.

Currently:

1257.4
1419.5
1581.5
1743.6
1809.7
1905.6

To run the program you just need to follow the following syntax in the terminal:

python2 maldisoft.py peaks.txt html/sample_name/ data/sample_name/*

For the NIH example it would be:

python2 maldisoft.py peaks.txt html/nih/ data/nih/*

The results should be inside html/nih.

To open the results page in your computer go to the directory and double click the index.html file.

If you have an apple machine just do:

open html/nih/index.html