# 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)" "PE 38:1" "816.6477;0.001;+H+" "Cholesterol" "SLM:000487065"
lipidlibrarian path/to/file
cat path/to/file | lipidlibrarian
### Docker
docker run lipidlibrarian "PC(18:1_20:0)" "PE 38:1" "816.6477;0.001;+H+" "Cholesterol" "SLM:000487065"
### Podman
podman run lipidlibrarian "PC(18:1_20:0)" "PE 38:1" "816.6477;0.001;+H+" "Cholesterol" "SLM:000487065"
### Import Python Package
```python
from lipidlibrarian.LipidQuery import *
query1 = LipidQuery("PC(18:1_20:0)").query()
query2 = LipidQuery("PE 38:1").query()
query3 = LipidQuery("816.6477;0.001;+H+").query()
query4 = LipidQuery("Cholesterol").query()
query5 = LipidQuery("SLM:000487065").query()
for lipid in query1:
print(repr(lipid))
for lipid in query2:
print(format(lipid, 'json'))
for lipid in query3:
print(format(lipid, 'html'))
for lipid in query4:
print(repr(lipid))
for lipid in query5:
print(repr(lipid))
```
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"author": "Konstantinos Mechteridis, Konstantin Pelz",
"author_email": "Felix Niedermaier <felix.niedermaier@tum.de>",
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"description": "# Lipid Librarian\n\n## Build and Installation Instructions\n\n### Python Virtual Environment\n\n make install install_optional\n\n### Docker Container (Docker < 25.0.0)\n\n docker build -t lipidlibrarian -f Containerfile .\n\n### Docker Container (Docker >= 25.0.0)\n\n docker buildx -t lipidlibrarian -f Containerfile .\n\n### OCI Container for Docker/Podman/Kubernetes\n\n buildah build -t lipidlibrarian -f Containerfile .\n\n## Run Lipid Librarian\n\n### CLI\n\nIn case you installed Lipid Librarian into a 'venv' virtual environment, make sure you activate it before with `source venv/bin/activate`.\n\n lipidlibrarian \"PC(18:1_20:0)\" \"PE 38:1\" \"816.6477;0.001;+H+\" \"Cholesterol\" \"SLM:000487065\"\n lipidlibrarian path/to/file\n cat path/to/file | lipidlibrarian\n\n### Docker\n\n docker run lipidlibrarian \"PC(18:1_20:0)\" \"PE 38:1\" \"816.6477;0.001;+H+\" \"Cholesterol\" \"SLM:000487065\"\n\n### Podman\n\n podman run lipidlibrarian \"PC(18:1_20:0)\" \"PE 38:1\" \"816.6477;0.001;+H+\" \"Cholesterol\" \"SLM:000487065\"\n\n### Import Python Package\n\n```python\nfrom lipidlibrarian.LipidQuery import *\n\nquery1 = LipidQuery(\"PC(18:1_20:0)\").query()\nquery2 = LipidQuery(\"PE 38:1\").query()\nquery3 = LipidQuery(\"816.6477;0.001;+H+\").query()\nquery4 = LipidQuery(\"Cholesterol\").query()\nquery5 = LipidQuery(\"SLM:000487065\").query()\n\nfor lipid in query1:\n print(repr(lipid))\n\nfor lipid in query2:\n print(format(lipid, 'json'))\n\nfor lipid in query3:\n print(format(lipid, 'html'))\n\nfor lipid in query4:\n print(repr(lipid))\n\nfor lipid in query5:\n print(repr(lipid))\n```\n",
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