Updated jupyter notebooks

bioexcel · May 17, 2024 · 710a114 · 710a114
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Showing 13 changed files with 13 additions and 13 deletions.
diff --git a/biobb_wf_amber_abc_md_setup/jupyter b/biobb_wf_amber_abc_md_setup/jupyter
diff --git a/biobb_wf_amber_complex_md_setup/jupyter b/biobb_wf_amber_complex_md_setup/jupyter
diff --git a/biobb_wf_amber_md_setup/jupyter b/biobb_wf_amber_md_setup/jupyter
diff --git a/biobb_wf_cmip/jupyter b/biobb_wf_cmip/jupyter
diff --git a/biobb_wf_flexdyn/jupyter b/biobb_wf_flexdyn/jupyter
diff --git a/biobb_wf_flexserv/jupyter b/biobb_wf_flexserv/jupyter
diff --git a/biobb_wf_godmd/jupyter b/biobb_wf_godmd/jupyter
diff --git a/biobb_wf_ligand_parameterization/jupyter b/biobb_wf_ligand_parameterization/jupyter
diff --git a/biobb_wf_md_setup/jupyter b/biobb_wf_md_setup/jupyter
diff --git a/biobb_wf_pmx_tutorial/jupyter b/biobb_wf_pmx_tutorial/jupyter
diff --git a/biobb_wf_protein_complex_md_setup/jupyter b/biobb_wf_protein_complex_md_setup/jupyter
diff --git a/biobb_wf_structure_checking/jupyter b/biobb_wf_structure_checking/jupyter
diff --git a/biobb_wf_virtual_screening/jupyter b/biobb_wf_virtual_screening/jupyter
+121 −52		biobb_wf_cmip/docs/source/tutorial.md
+202 −401		biobb_wf_cmip/html/biobb_wf_cmip.web.html
+ −		biobb_wf_flexdyn/docs/source/_static/ngl6.png
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+244 −169		biobb_wf_flexdyn/docs/source/tutorial.md
+5,821 −14,492		biobb_wf_flexdyn/html/biobb_wf_flexdyn.web.html
+28 −0		biobb_wf_flexserv/docs/source/_static/mathjax-config.js
+1 −0		biobb_wf_flexserv/docs/source/conf.py
+282 −255		biobb_wf_flexserv/docs/source/tutorial.md
+438 −733		biobb_wf_flexserv/html/biobb_wf_flexserv.web.html
+62 −17		biobb_wf_godmd/docs/source/tutorial.md
+192 −48		biobb_wf_godmd/html/biobb_wf_godmd.web.html
+52 −11		biobb_wf_ligand_parameterization/docs/source/tutorial.md
+5,240 −11,835		biobb_wf_ligand_parameterization/html/biobb_ligand_parameterization_tutorial.web.html
+1 −1		biobb_wf_ligand_parameterization/notebooks/biobb_ligand_parameterization_tutorial.ipynb
+157 −143		biobb_wf_md_setup/docs/source/tutorial.md
+7,550 −13,299		biobb_wf_md_setup/html/biobb_MDsetup_tutorial.web.html
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+1 −0		.gitignore
+116 −88		biobb_wf_pmx_tutorial/docs/source/tutorial.md
+7,277 −12,891		biobb_wf_pmx_tutorial/html/biobb_wf_pmx_tutorial.web.html
+ −		biobb_wf_pmx_tutorial/html/plot1.png
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+1 −0		.gitignore
+166 −155		biobb_wf_protein-complex_md_setup/docs/source/tutorial.md
+6,027 −12,512		biobb_wf_protein-complex_md_setup/html/biobb_Protein-Complex_MDsetup_tutorial.web.html
+48 −6		biobb_wf_structure_checking/docs/source/tutorial.md
+92 −27		biobb_wf_structure_checking/html/biobb_wf_structure_checking.web.html
+3 −3		README.md
+58 −14		biobb_wf_virtual-screening/docs/source/cluster_bs_tutorial.md
+55 −16		biobb_wf_virtual-screening/docs/source/ebi_api_tutorial.md
+65 −18		biobb_wf_virtual-screening/docs/source/fpocket_tutorial.md
+3 −3		biobb_wf_virtual-screening/docs/source/readme.md
+5,541 −12,065		biobb_wf_virtual-screening/html/cluster_bs/wf_vs_clusterBindingSite.web.html
+5,520 −12,049		biobb_wf_virtual-screening/html/ebi_api/wf_vs_ebi_api.web.html
+5,604 −12,113		biobb_wf_virtual-screening/html/fpocket/wf_vs_fpocket.web.html
+1 −1		biobb_wf_virtual-screening/notebooks/ebi_api/wf_vs_ebi_api.ipynb