Python package for converting msp to database
Project description
Python package to create an SQLite database from a collection of MSP mass spectromertry spectra files. Currently works with MSP files formated as MassBank records or as MoNA records.
The resulting SQLite database can be used for spectral matching with msPurity Bioconductor R package, see vigenette.
Installation
$ pip install .
Command line
$ msp2db -msp_pth [msp file or directory of msp files] -name [name of database] -source [name of source of msp e.g. massbank] -o [out dir] $ msp2db --help
API
db_pth = '/home/tomnl/spectral_library_07112018v1.db'
create_db(file_pth=db_pth, db_type='sqlite', db_name='spectra')
libdata = LibraryData(msp_pth='MoNA-export-FAHFA.msp',
db_pth=db_pth,
db_type='sqlite',
d_form=None,
schema='mona',
source='fahfa',
mslevel=None,
chunk=200)
Developers & Contributors
Tom Lawson: t.n.lawson@bham.ac.uk
License
Released under the GNU General Public License v3.0 (see LICENSE file)
Project details
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msp2db-0.0.4.tar.gz
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