diff --git a/docs/build/doctrees/environment.pickle b/docs/build/doctrees/environment.pickle
index bd5a4c3..4b1614d 100644
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diff --git a/docs/build/doctrees/index.doctree b/docs/build/doctrees/index.doctree
index d9f11c0..66cf9fb 100644
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diff --git a/docs/build/doctrees/overview-pipes.doctree b/docs/build/doctrees/overview-pipes.doctree
index ea03cbb..3221c9c 100644
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diff --git a/docs/build/doctrees/pipeline_idea.doctree b/docs/build/doctrees/pipeline_idea.doctree
new file mode 100644
index 0000000..9c2296c
Binary files /dev/null and b/docs/build/doctrees/pipeline_idea.doctree differ
diff --git a/docs/build/html/_images/PGAB_constr.png b/docs/build/html/_images/PGAB_constr.png
new file mode 100644
index 0000000..287a112
Binary files /dev/null and b/docs/build/html/_images/PGAB_constr.png differ
diff --git a/docs/build/html/_images/genome2draft.svg b/docs/build/html/_images/genome2draft.svg
new file mode 100644
index 0000000..8c07bb3
--- /dev/null
+++ b/docs/build/html/_images/genome2draft.svg
@@ -0,0 +1,4 @@
+
+
+
+
\ No newline at end of file
diff --git a/docs/build/html/_sources/index.rst.txt b/docs/build/html/_sources/index.rst.txt
index eca937a..ca93c1c 100644
--- a/docs/build/html/_sources/index.rst.txt
+++ b/docs/build/html/_sources/index.rst.txt
@@ -37,6 +37,16 @@ Currently, ``SPECIMEN`` includes the following pipelines (for a summary refer to
+.. image:: images/buttons/PGAB_constr.png
+ :height: 0px
+ :width: 0px
+
+.. raw:: html
+
+
+
+
+
.. toctree::
:maxdepth: 2
:caption: Content
diff --git a/docs/build/html/_sources/overview-pipes.rst.txt b/docs/build/html/_sources/overview-pipes.rst.txt
index 51b09c2..98174e2 100644
--- a/docs/build/html/_sources/overview-pipes.rst.txt
+++ b/docs/build/html/_sources/overview-pipes.rst.txt
@@ -36,4 +36,12 @@ a similar organism to the one the new model should be curated for.
About HQTB
Run HQTB
- HQTB Configuration
\ No newline at end of file
+ HQTB Configuration
+
+More ideas for pipelines
+------------------------
+
+Below are some ideas for pipelines, which may be implemented in future update(s):
+
+.. toctree::
+ pgap based
\ No newline at end of file
diff --git a/docs/build/html/_sources/pipeline_idea.rst.txt b/docs/build/html/_sources/pipeline_idea.rst.txt
new file mode 100644
index 0000000..9755ab8
--- /dev/null
+++ b/docs/build/html/_sources/pipeline_idea.rst.txt
@@ -0,0 +1,38 @@
+PGAB: From genome sequence to draft model
+=========================================
+
+PGAB: PGAP based pipeline
+
+.. note::
+
+ This pipeline is still in the idea stage and will be object to a future update.
+
+Generating a model for an organism where no information on genes and proteins is obtainable via any database
+causes the problem that the model will not contain valid database identifiers for any GeneProduct. To resolve this issue the
+workflow in Figure :numref:`workflow` can be used.
+
+1. First annotate the genome with NCBI's Prokaryotic Genome Annotation Pipeline (PGAP) to obtain the same FASTA format as used in NCBI and use the flag for taxonomy checking.
+2. Then use DIAMOND with the ``nr`` database from NCBI and the obtained annotated FASTA file as input. Restrict the search to your organism's taxon if known.
+3. Check if any protein in the annotation FASTA file still has no database identifier.
+
+ | -> YES: Rerun DIAMOND without the taxonomy check and without the restriction for the organism's taxon.
+ |
+ | -> NO: Continue with step 4.
+
+4. Add the DIAMOND result to the annotated FASTA file.
+5. Run e.g. ``CarveMe`` to obtain a draft model.
+6. Check if in the model any GeneProducts without NCBI Protein or RefSeq identifiers occur.
+
+ | -> YES:
+ | i. Use individual BLAST searches for the remaining GeneProducts.
+ | ii. Add the results to the annotated and refined FASTA file.
+ | iii. Create again a draft model with the same program with the newly refined FASTA file.
+ |
+ | -> NO: The draft model is done.
+
+.. _workflow:
+
+.. figure:: images/genome2draft.svg
+ :alt: Workflow from genome sequence to a draft model
+
+ Workflow from genome sequence to a draft model
diff --git a/docs/build/html/hqtb/about-pipeline.html b/docs/build/html/hqtb/about-pipeline.html
index 00d5682..76ac868 100644
--- a/docs/build/html/hqtb/about-pipeline.html
+++ b/docs/build/html/hqtb/about-pipeline.html
@@ -65,6 +65,7 @@
HQTB Configuration File
+.. image:: images/buttons/PGAB_constr.png
+ :height: 0px
+ :width: 0px
+
+.. raw:: html
+
+
+
+
+
.. toctree::
:maxdepth: 2
:caption: Content
diff --git a/docs/source/overview-pipes.rst b/docs/source/overview-pipes.rst
index 51b09c2..fd5fb5f 100644
--- a/docs/source/overview-pipes.rst
+++ b/docs/source/overview-pipes.rst
@@ -36,4 +36,12 @@ a similar organism to the one the new model should be curated for.
About HQTB
Run HQTB
- HQTB Configuration
\ No newline at end of file
+ HQTB Configuration
+
+More ideas for pipelines
+------------------------
+
+Below are some ideas for pipelines, which may be implemented in future update(s):
+
+.. toctree::
+ PGAB
\ No newline at end of file
diff --git a/docs/source/pipeline_idea.rst b/docs/source/pipeline_idea.rst
new file mode 100644
index 0000000..9755ab8
--- /dev/null
+++ b/docs/source/pipeline_idea.rst
@@ -0,0 +1,38 @@
+PGAB: From genome sequence to draft model
+=========================================
+
+PGAB: PGAP based pipeline
+
+.. note::
+
+ This pipeline is still in the idea stage and will be object to a future update.
+
+Generating a model for an organism where no information on genes and proteins is obtainable via any database
+causes the problem that the model will not contain valid database identifiers for any GeneProduct. To resolve this issue the
+workflow in Figure :numref:`workflow` can be used.
+
+1. First annotate the genome with NCBI's Prokaryotic Genome Annotation Pipeline (PGAP) to obtain the same FASTA format as used in NCBI and use the flag for taxonomy checking.
+2. Then use DIAMOND with the ``nr`` database from NCBI and the obtained annotated FASTA file as input. Restrict the search to your organism's taxon if known.
+3. Check if any protein in the annotation FASTA file still has no database identifier.
+
+ | -> YES: Rerun DIAMOND without the taxonomy check and without the restriction for the organism's taxon.
+ |
+ | -> NO: Continue with step 4.
+
+4. Add the DIAMOND result to the annotated FASTA file.
+5. Run e.g. ``CarveMe`` to obtain a draft model.
+6. Check if in the model any GeneProducts without NCBI Protein or RefSeq identifiers occur.
+
+ | -> YES:
+ | i. Use individual BLAST searches for the remaining GeneProducts.
+ | ii. Add the results to the annotated and refined FASTA file.
+ | iii. Create again a draft model with the same program with the newly refined FASTA file.
+ |
+ | -> NO: The draft model is done.
+
+.. _workflow:
+
+.. figure:: images/genome2draft.svg
+ :alt: Workflow from genome sequence to a draft model
+
+ Workflow from genome sequence to a draft model
diff --git a/pyproject.toml b/pyproject.toml
index 044d9a4..837e604 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -6,6 +6,7 @@ build-backend = "setuptools.build_meta"
name = 'specimen'
authors = [
{ name="Carolin Brune"},
+ { name="Gwendolyn O. Döbel"},
]
description = "SPECIMEN: A package for strain-specific metabolic modelling."
readme = "README.md"
@@ -20,6 +21,7 @@ classifiers = [
# 'Operating System :: OS Independent'
'Programming Language :: Python',
# Topic :: Software Development :: Libraries :: Python Modules
+ "Topic :: Scientific/Engineering :: Bio-Informatics",
'License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)'
]