Convert an MSP file representing one or more Mass Spectra to a NIST MS Search user library.
Project description
The NIST Library Conversion program running in Wine and Docker
|
|
This is a Python script to facilitate conversion from MSP files to NIST MS Search user libraries.
Usage
msp2lib.py [input_file] [output_dir]where input_file is the MSP file to be converted and output_dir is the directory to save the output library in. If output_dir is unspecified the current working directory is used instead.
Docker must be installed to use this program.
The first time this script is run it will download the latest version of the docker image automatically. This can also be done manually, such as to upgrade to the latest version, by running with the --get-docker-image flag.
For more usage information see the manpage or run with the --help flag.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
File details
Details for the file msp2lib-0.1.3.tar.gz.
File metadata
- Download URL: msp2lib-0.1.3.tar.gz
- Upload date:
- Size: 13.1 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.1.1 pkginfo/1.5.0.1 requests/2.23.0 setuptools/46.1.3 requests-toolbelt/0.9.1 tqdm/4.45.0 CPython/3.6.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | b903b80ec89fb0e008e1d662965381d3e5cf46489586ca112d31da2ad8bda81b |
|
| MD5 | e5208e5670633e6f01d8f9e0d3f7944f |
|
| BLAKE2b-256 | bebc6a121b49a6cd38c0d83ef2372ae59dc91cf766b5289208624078438d681d |
Provenance
File details
Details for the file msp2lib-0.1.3-py3-none-any.whl.
File metadata
- Download URL: msp2lib-0.1.3-py3-none-any.whl
- Upload date:
- Size: 17.4 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.1.1 pkginfo/1.5.0.1 requests/2.23.0 setuptools/46.1.3 requests-toolbelt/0.9.1 tqdm/4.45.0 CPython/3.6.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 681b98553d312da387b34c7de8b3f7dbdca0bccd0c2717e7fafe22ae2e28bb53 |
|
| MD5 | f9d5ce83eec7c4b092220bf75ac07a0e |
|
| BLAKE2b-256 | d74e93ba084afb0109198555a58c89305b3aba2c2c9a8c7498c4bf4b881a4d05 |
