Mesnage-Org / glam

GLycan Analysis Module
https://mesnage-org.github.io/glam/
GNU Affero General Public License v3.0
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The GLAM

GLycan Analysis Module

Documentation

Docstrings are used to automatically generate documentation for glam. This project will follow the docstring standard embraced and defined by SciPy/NumPy. These docstrings look something like:

"""Gets and prints the spreadsheet's header columns

Parameters
----------
file_loc : str
    The file location of the spreadsheet
print_cols : bool, optional
    A flag used to print the columns to the console (default is False)

Returns
-------
list
    a list of strings representing the header columns
"""

Related Work

https://github.com/SugarPy/SugarPy https://github.com/ursgal/ursgal https://github.com/pyQms/pyqms

Findings

The MeHex mass was wrong, so structures with more MeHex were more incorrect in their masses. Also, something horrific happened with the core structure — it's off by 12+ Da