A Lipidomics Database Explorer Package
Project description
Lipid Librarian
Build and Installation Instructions
Python Virtual Environment
make install install_optional
Docker Container (Docker < 25.0.0)
docker build -t lipidlibrarian -f Containerfile .
Docker Container (Docker >= 25.0.0)
docker buildx -t lipidlibrarian -f Containerfile .
OCI Container for Docker/Podman/Kubernetes
buildah build -t lipidlibrarian -f Containerfile .
Run Lipid Librarian
CLI
In case you installed Lipid Librarian into a 'venv' virtual environment, make sure you activate it before with source venv/bin/activate
.
lipidlibrarian "PC(18:1_20:0)" "410.243;0.01" "PC(56:8)"
lipidlibrarian path/to/file
cat path/to/file | lipidlibrarian
Docker
docker run lipidlibrarian "PC(18:1_20:0)" "410.243;0.01" "PC(56:8)"
Podman
podman run lipidlibrarian "PC(18:1_20:0)" "410.243;0.01" "PC(56:8)"
Import Python Package
from lipidlibrarian.LipidQuery import *
query1 = LipidQuery("PC(18:1_20:0)").query()
query2 = LipidQuery("410.243;0.01").query()
query3 = LipidQuery("PC(56:8)").query()
for lipid in query1:
print(repr(lipid))
for lipid in query2:
print(format(lipid, 'json'))
for lipid in query3:
print(format(lipid, 'html'))
Project details
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