prepare v5

DSeiferth · Apr 17, 2024 · ef5073b · ef5073b
1 parent 438a6fc
commit ef5073b
Show file tree

Hide file tree

Showing 5 changed files with 9 additions and 4 deletions.
diff --git a/Dockerfile b/Dockerfile
@@ -31,7 +31,7 @@ COPY app.py /app/app.py
 COPY PoreAnalyser /app/PoreAnalyser
 COPY visualise_pathway_hole.tcl /app/visualise_pathway_hole.tcl
 COPY chimera_pore.py /app/chimera_pore.py
-COPY source pymol_pore_visu.py /app/pymol_pore_visu.py
+COPY pymol_pore_visu.py /app/pymol_pore_visu.py
 COPY README.md /app/README.md
 
 # Install Python dependencies

diff --git a/PoreAnalyser/__init__.py b/PoreAnalyser/__init__.py
@@ -14,7 +14,7 @@
 #from download_files import download_output, download_Ellipsoid_output
 #from ellipsoid_optimisation import ellipsoid_pathway
 
-__version__ = "0.0.4"
+__version__ = "0.0.5"
 __author__ = 'David Seiferth'
 
 from .hole_analysis import hole_analysis

diff --git a/app.py b/app.py
@@ -37,6 +37,11 @@
 str5 = 'Here, we present an interactive web-service based on the PoreAnalyser python package that allows users to calculate the pore profile of any input structure. '
 str6 = 'Based on the well-established HOLE programme, we add a new feature to capture pore asymmetry by using an ellipsoidal probe particle. '
 st.write(str1+str2+str3+str4+str5+str6)
+url1 = "https://porefinding.readthedocs.io/en/latest/index.html"
+url2 = "https://porefinding.readthedocs.io/en/latest/visualisation.html"
+str1 = "The [documentation](%s) of the PoreAnalyser python package " % url1
+str2 = "gives more information about [visualisation](%s) with the output files that you can download here." % url2
+st.write(str1+str2)
 
 st.subheader("Pathway Finding Settings")
 string1 = 'Radius in Å, which is considered to be the end of the pore. '

diff --git a/pyproject.toml b/pyproject.toml
@@ -8,7 +8,7 @@ authors = [{name = "David Seiferth", email = "[email protected]"}]
 license = {file = "LICENSE"}
 readme = {file = "README.md", content-type = "text/markdown"}
 description = "PoreAnalyser package based on HOLE and MDAnalysis"
-version = "0.0.4"
+version = "0.0.5"
 requires-python = ">=3.6"
 dependencies = [
 #python<=3.11,

diff --git a/setup.py b/setup.py
@@ -2,7 +2,7 @@
 
 setup(
     name='PoreAnalyser', #'PoreFinding',
-    version='0.0.4',    
+    version='0.0.5',    
     description='A Python package for analysing (ion channel) pore profiles',
     long_description=open('README.md').read(),
     long_description_content_type='text/markdown',