From 6bb0f024b5d05430bacd976e9bbf8a34479a5026 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 12:50:19 +0000 Subject: [PATCH 01/16] update structure-validation-uglymol version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index d6b7d34..15da100 100644 --- a/assets.json +++ b/assets.json @@ -8,7 +8,7 @@ "longdesc": "" }, "structure-validation-uglymol": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "Uglymol Image", "category": "infrastructure", "shortdesc": "Uglymol container for hosted deployment as part of the structure validation workshop.", From 0aea50376789cf578116ca7158a1a078d5de7611 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 12:50:47 +0000 Subject: [PATCH 02/16] update jupyterhub-base version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index 15da100..3c9875e 100644 --- a/assets.json +++ b/assets.json @@ -1,7 +1,7 @@ { "containers": { "jupyterhub-base": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "CCPBioSim Base Image", "category": "infrastructure", "shortdesc": "CCPBioSim JupyterHub base container for use in other training workshops.", From 4b0641030a8155a8b84660e10a946d492be93f18 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:02:43 +0000 Subject: [PATCH 03/16] update basic-analysis-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index 3c9875e..b0790f4 100644 --- a/assets.json +++ b/assets.json @@ -36,7 +36,7 @@ "longdesc": "" }, "basic-analysis-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "Introducing Basic Analysis", "category": "analysis", "shortdesc": "In this course we will explore some of the issues in simulation preparation and analysis that can trip up the unwary, and how to avoid them.", From e7a078ab8c5cc679b61679f5a628b35e8cc99ef9 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:03:49 +0000 Subject: [PATCH 04/16] update mm-gbsa-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index b0790f4..abead23 100644 --- a/assets.json +++ b/assets.json @@ -106,7 +106,7 @@ "longdesc": "" }, "mm-gbsa-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "Analysing with MM-GBSA", "category": "analysis", "shortdesc": "This course walks through the process of perfprming a basic MM-GBSA analysis of a molecular dynamics simulation of a protein-ligand complex to estimate the ligand binding free energy.", From 7dd9cb8caed4e0f0448dbaa01a027f201c303604 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:05:33 +0000 Subject: [PATCH 05/16] update docking-workflow version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index abead23..7336938 100644 --- a/assets.json +++ b/assets.json @@ -92,7 +92,7 @@ "longdesc": "" }, "docking-workflow": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "Introducing Docking Workflows", "category": "advanced", "shortdesc": "This course introduces docking tools and workflows.", From 546fe65c5fb8d53f7ea6e719b9bb471eee91dfba Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:07:10 +0000 Subject: [PATCH 06/16] update protein-analysis-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index 7336938..5892751 100644 --- a/assets.json +++ b/assets.json @@ -120,7 +120,7 @@ "longdesc": "" }, "protein-analysis-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "Introduction to the Analysis of Proteins", "category": "analysis", "shortdesc": "This course introduces the application of MDTraj to the analysis of protein simulation data.", From b7fd474cf0a72ea7b0fae43131f487543fbb1844 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:08:41 +0000 Subject: [PATCH 07/16] update pca-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index 5892751..25d29bd 100644 --- a/assets.json +++ b/assets.json @@ -71,7 +71,7 @@ "longdesc": "" }, "pca-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "An Introduction to Principle Component Analysis", "category": "analysis", "shortdesc": "The aim of this course is to illustrate methods we can use to assess convergence and sampling in MD trajectories.", From 3f2fc17df62961de66c17c69da5fafc8e6b61d09 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:10:03 +0000 Subject: [PATCH 08/16] update clustering-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index 25d29bd..cd84729 100644 --- a/assets.json +++ b/assets.json @@ -57,7 +57,7 @@ "longdesc": "" }, "clustering-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "An Introduction to Clustering", "category": "analysis", "shortdesc": "This course illustrates the application of a variety of clustering methods to an MD trajectory, comparing their performance.", From dc130b08d2319409eaede08496159a7bc91580c8 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:11:51 +0000 Subject: [PATCH 09/16] update equilibration-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index cd84729..a8c6dfc 100644 --- a/assets.json +++ b/assets.json @@ -43,7 +43,7 @@ "longdesc": "" }, "equilibration-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "An Introduction to Equilibration", "category": "setup", "shortdesc": "This course looks at one of the most common methods for assessing equilibration: the calculation of RMSDs. It may be a common approach, but is it a good one? Maybe not.", From 052621a52a3ae6199cbf757edbc0252b7fd46a0b Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:13:29 +0000 Subject: [PATCH 10/16] update python-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index a8c6dfc..e8bf389 100644 --- a/assets.json +++ b/assets.json @@ -78,7 +78,7 @@ "longdesc": "" }, "python-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "An Introduction to Python Programming", "category": "coding", "shortdesc": "This course will introduce more intermediate features of Python that are useful for biomolecular modellers.", From b947315a191dab6dbbfb3d18363c7e90536f1607 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:14:08 +0000 Subject: [PATCH 11/16] update ubiquitin-analysis-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index e8bf389..0ff131f 100644 --- a/assets.json +++ b/assets.json @@ -50,7 +50,7 @@ "longdesc": "" }, "ubiquitin-analysis-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "Introduction to Analysis of Ubiquitin", "category": "analysis", "shortdesc": "This course illustrates the application of a number of Python-based tools to the analysis of the results from a short (1 nanosecond) simulation of ubiquitin, investigating the question, how similar is the MD trajectory to the crystal and NMR structures?", From ede967e01bdbd9817524538e81d1e400be8ec57a Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:15:11 +0000 Subject: [PATCH 12/16] update protein-ml-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index 0ff131f..053c624 100644 --- a/assets.json +++ b/assets.json @@ -113,7 +113,7 @@ "longdesc": "" }, "protein-ml-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "Protein Analysis with Machine Learning", "category": "analysis", "shortdesc": "This course introduces the application of Machine Learning methods (specifically, PCA and clustering) to the analysis of protein simulation data.", From 1598084ca8df99e1c8e53b562f4e8c6878ff6d78 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:16:10 +0000 Subject: [PATCH 13/16] update basic-statistics-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index 053c624..c2e7b49 100644 --- a/assets.json +++ b/assets.json @@ -22,7 +22,7 @@ "longdesc": "" }, "basic-statistics-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "Introducing Basic Statistics", "category": "analysis", "shortdesc": "This course illustrates how basic statistical concepts can be applied to the analysis of biomolecular simlation data", From cfb4c8683c60d44b904ce36c0acadce235af3caa Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:18:02 +0000 Subject: [PATCH 14/16] update structure-validation-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index c2e7b49..563e071 100644 --- a/assets.json +++ b/assets.json @@ -15,7 +15,7 @@ "longdesc": "" }, "structure-validation-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "An Introduction to Structure Validation", "category": "setup", "shortdesc": "This course will introduce methods to deduce that starting structures for preparing simulations represent high quality starting points.", From 6d40c984b2b32f1aafbb23f100130d95ccd4b061 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:19:47 +0000 Subject: [PATCH 15/16] update pdb2pqr-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index 563e071..e56fc32 100644 --- a/assets.json +++ b/assets.json @@ -85,7 +85,7 @@ "longdesc": "" }, "pdb2pqr-workshop": { - "latest": "2026-05-18", + "latest": "2026-05-25", "name": "An Introduction to PDB2PQR", "category": "setup", "shortdesc": "This short course illustrates the application of pdb2pqr to the analysis of the tautomeric and ionization states of residues in the structure of the cysteine protease cruzein (PDB code 2oz2) - the results may not be what you would have expected!", From 3fe948bac73fb26305922d606d3c3c2b48286e9f Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 25 May 2026 13:21:30 +0000 Subject: [PATCH 16/16] update coarse-graining-workshop version to 2026-05-25 --- assets.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets.json b/assets.json index e56fc32..690f069 100644 --- a/assets.json +++ b/assets.json @@ -148,7 +148,7 @@ "longdesc": "" }, "coarse-graining-workshop": { - "latest": "2026-05-11", + "latest": "2026-05-25", "name": "Introducing Coarse-Graining", "category": "advanced", "shortdesc": "This workshop introduces tools for setup and running coarse-grain simulations.",