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* https://zenodo.org/record/7332369
🧪 Tests (latest): ProLIF develop CI status
-
🧪 Tests (develop): ProLIF develop CI status
+
🧪 Tests (develop): ProLIF develop CI status
Description:
Interaction Fingerprints for protein-ligand complexes and more
diff --git a/_sources/ProLIF.rst.txt b/_sources/ProLIF.rst.txt index 2d6f502b..058621b7 100644 --- a/_sources/ProLIF.rst.txt +++ b/_sources/ProLIF.rst.txt @@ -40,7 +40,7 @@ The source code of ProLIF can be installed using the following: :alt: ProLIF develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |ProLIF_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |ProLIF_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: ProLIF develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions diff --git a/_sources/maintainingakit.rst.txt b/_sources/maintainingakit.rst.txt index c1116a8a..6836daa1 100644 --- a/_sources/maintainingakit.rst.txt +++ b/_sources/maintainingakit.rst.txt @@ -7,7 +7,7 @@ Maintaining an MDAKit .. note:: This section is still under construction. If you have topics you would like to see covered here, please get in touch via - `MDAnalysis Github Discussion`_. + `MDAnalysis Github Discussions`_. There are a variety of reasons a kit may behave unexpectedly after being submitted to the registry. Apart from actively developing the kit, changes in diff --git a/_sources/mdakits.rst.txt b/_sources/mdakits.rst.txt index 48992f36..79ad13c0 100644 --- a/_sources/mdakits.rst.txt +++ b/_sources/mdakits.rst.txt @@ -218,7 +218,7 @@ Each of the MDAKits in the following table links to a page with more details abo :alt: membrane-curvature develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |membrane-curvature_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |membrane-curvature_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: membrane-curvature develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions @@ -248,7 +248,7 @@ Each of the MDAKits in the following table links to a page with more details abo :alt: pytim develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |pytim_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |pytim_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: pytim develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions @@ -267,7 +267,7 @@ Each of the MDAKits in the following table links to a page with more details abo :alt: ProLIF develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |ProLIF_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |ProLIF_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: ProLIF develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions @@ -360,7 +360,7 @@ Each of the MDAKits in the following table links to a page with more details abo :alt: zarrtraj develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |zarrtraj_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |zarrtraj_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: zarrtraj develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions @@ -393,7 +393,7 @@ Each of the MDAKits in the following table links to a page with more details abo :alt: openmm-mdanalysis-reporter develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |openmm-mdanalysis-reporter_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |openmm-mdanalysis-reporter_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: openmm-mdanalysis-reporter develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions diff --git a/_sources/membrane-curvature.rst.txt b/_sources/membrane-curvature.rst.txt index 0e09c793..4662c8ed 100644 --- a/_sources/membrane-curvature.rst.txt +++ b/_sources/membrane-curvature.rst.txt @@ -42,7 +42,7 @@ The source code of membrane-curvature can be installed using the following: :alt: membrane-curvature develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |membrane-curvature_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |membrane-curvature_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: membrane-curvature develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions diff --git a/_sources/openmm-mdanalysis-reporter.rst.txt b/_sources/openmm-mdanalysis-reporter.rst.txt index e7f84da3..1c5e8d90 100644 --- a/_sources/openmm-mdanalysis-reporter.rst.txt +++ b/_sources/openmm-mdanalysis-reporter.rst.txt @@ -42,7 +42,7 @@ The source code of openmm-mdanalysis-reporter can be installed using the followi :alt: openmm-mdanalysis-reporter develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |openmm-mdanalysis-reporter_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |openmm-mdanalysis-reporter_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: openmm-mdanalysis-reporter develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions diff --git a/_sources/pytim.rst.txt b/_sources/pytim.rst.txt index d28fec08..daf79c40 100644 --- a/_sources/pytim.rst.txt +++ b/_sources/pytim.rst.txt @@ -41,7 +41,7 @@ The source code of pytim can be installed using the following: :alt: pytim develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |pytim_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |pytim_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: pytim develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions diff --git a/_sources/zarrtraj.rst.txt b/_sources/zarrtraj.rst.txt index 0120c000..29e6f12e 100644 --- a/_sources/zarrtraj.rst.txt +++ b/_sources/zarrtraj.rst.txt @@ -45,7 +45,7 @@ The source code of zarrtraj can be installed using the following: :alt: zarrtraj develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions -.. |zarrtraj_develop| image:: https://img.shields.io/badge/develop-passed-green.svg +.. |zarrtraj_develop| image:: https://img.shields.io/badge/develop-failed-red.svg :alt: zarrtraj develop CI status :target: https://github.com/MDAnalysis/MDAKits/actions diff --git a/maintainingakit.html b/maintainingakit.html index 9271d46a..8664f211 100644 --- a/maintainingakit.html +++ b/maintainingakit.html @@ -133,7 +133,7 @@

Note

This section is still under construction. If you have topics you would like to see covered here, please get in touch via -`MDAnalysis Github Discussion`_.

+MDAnalysis Github Discussions.

There are a variety of reasons a kit may behave unexpectedly after being submitted to the registry. Apart from actively developing the kit, changes in diff --git a/mdakits.html b/mdakits.html index 00402dcc..1c1b4b2a 100644 --- a/mdakits.html +++ b/mdakits.html @@ -213,7 +213,7 @@

Registry of MDAnalysis Toolkits (MDAKits)

membrane-curvature

membranes, curvature, molecular dynamics

membrane-curvature authors

-

membrane-curvature develop CI status membrane-curvature develop CI status

+

membrane-curvature develop CI status membrane-curvature develop CI status

maicos

Molecular Dynamics, Confined Systems

@@ -228,7 +228,7 @@

Registry of MDAnalysis Toolkits (MDAKits)

pytim

Surface analysis, Intrinsic properties

pytim authors

-

pytim develop CI status pytim develop CI status

+

pytim develop CI status pytim develop CI status

mdacli

command line interface, molecular-dynamics

@@ -238,7 +238,7 @@

Registry of MDAnalysis Toolkits (MDAKits)

ProLIF

drug-design, cheminformatics, molecular-dynamics

Cédric Bouysset

-

ProLIF develop CI status ProLIF develop CI status

+

ProLIF develop CI status ProLIF develop CI status

mdakit-sasa

SASA, FreeSASA, ShrakeRupley, LeeRichards

@@ -283,7 +283,7 @@

Registry of MDAnalysis Toolkits (MDAKits)

zarrtraj

streaming, trajectory, zarr, h5md, hdf5, AWS S3 Buckets, Google Cloud Buckets, Azure Blob Storage, Azure Data Lake

zarrtraj authors

-

zarrtraj develop CI status zarrtraj develop CI status

+

zarrtraj develop CI status zarrtraj develop CI status

mda-tui

transformations, TUI

@@ -298,7 +298,7 @@

Registry of MDAnalysis Toolkits (MDAKits)

openmm-mdanalysis-reporter

OpenMM, Reporters

openmm-mdanalysis-reporter authors

-

openmm-mdanalysis-reporter develop CI status openmm-mdanalysis-reporter develop CI status

+

openmm-mdanalysis-reporter develop CI status openmm-mdanalysis-reporter develop CI status

diff --git a/membrane-curvature.html b/membrane-curvature.html index baa2a26f..5ea12d5a 100644 --- a/membrane-curvature.html +++ b/membrane-curvature.html @@ -172,7 +172,7 @@
* https://zenodo.org/records/5553452
🧪 Tests (latest): membrane-curvature develop CI status
-
🧪 Tests (develop): membrane-curvature develop CI status
+
🧪 Tests (develop): membrane-curvature develop CI status
Description:
Tool to calculate the Gaussian and mean curvature of membranes from Molecular Dynamics simulations.
diff --git a/openmm-mdanalysis-reporter.html b/openmm-mdanalysis-reporter.html index fed41ffd..9cdd87c9 100644 --- a/openmm-mdanalysis-reporter.html +++ b/openmm-mdanalysis-reporter.html @@ -166,7 +166,7 @@
⚖️ License: MIT
🔑 Keywords: OpenMM, Reporters
🧪 Tests (latest): openmm-mdanalysis-reporter develop CI status
-
🧪 Tests (develop): openmm-mdanalysis-reporter develop CI status
+
🧪 Tests (develop): openmm-mdanalysis-reporter develop CI status
Description:
MDAnalysis based reporters for OpenMM
diff --git a/pytim.html b/pytim.html index c88ccd4f..bb36ccb1 100644 --- a/pytim.html +++ b/pytim.html @@ -171,7 +171,7 @@
* https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.25384
🧪 Tests (latest): pytim develop CI status
-
🧪 Tests (develop): pytim develop CI status
+
🧪 Tests (develop): pytim develop CI status
Description:
Provides several methods for the detection of fluid interfaces and analysis of their properties.
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"what": [5, 39], "who": 39, "why": 5, "without": 25, "work": 39, "yaml": 37, "zarrtraj": 45}}) \ No newline at end of file diff --git a/zarrtraj.html b/zarrtraj.html index 300cffdc..7db0d2b4 100644 --- a/zarrtraj.html +++ b/zarrtraj.html @@ -175,7 +175,7 @@
* https://doi.org/10.25080/majora-1b6fd038-005
🧪 Tests (latest): zarrtraj develop CI status
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🧪 Tests (develop): zarrtraj develop CI status
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🧪 Tests (develop): zarrtraj develop CI status
Description:
Zarrtraj is a kit that provides the ability to stream & analyze H5MD trajectories from cloud storage.