HELP-21267: don't apply pLDDT coloring to archive entries

molstar · Jul 1, 2024 · 3116c32 · 3116c32
1 parent c9fcb5a
commit 3116c32
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Showing 3 changed files with 15 additions and 6 deletions.
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -2,6 +2,10 @@
 
 [Semantic Versioning](https://semver.org/)
 
+## [2.10.3] - 2024-07-01
+### Bug fixes
+- HELP-21267: don't apply pLDDT coloring to experimental structures
+
 ## [2.10.2] - 2024-07-01
 ### General
 - Dependency updates

diff --git a/src/viewer/helpers/preset.ts b/src/viewer/helpers/preset.ts
@@ -47,7 +47,7 @@ import {
     AssemblySymmetryProvider
 } from 'molstar/lib/extensions/assembly-symmetry/prop';
 import { Task } from 'molstar/lib/mol-task';
-import { PLDDTConfidenceColorThemeProvider } from 'molstar/lib/extensions/model-archive/quality-assessment/color/plddt';
+import { QualityAssessment } from 'molstar/lib/extensions/model-archive/quality-assessment/prop';
 
 type BaseProps = {
     assemblyId?: string
@@ -352,7 +352,7 @@ function checkPlddtColorTheme(structure: StructureObject | undefined, plddt: 'on
     if (!structure?.data) return false;
     if (plddt === 'off') return false;
     if (plddt === 'single-chain' && structure.data?.polymerUnitCount !== 1) return false;
-    return PLDDTConfidenceColorThemeProvider.isApplicable({ structure: structure.data });
+    return structure.data.models.some(m => QualityAssessment.isApplicable(m, 'pLDDT'));
 }
 
 function determineAssemblyId(traj: any, p: MotifProps) {

diff --git a/src/viewer/index.html b/src/viewer/index.html
@@ -133,10 +133,15 @@ <h2> RCSB PDB Mol* Viewer - Test Page</h2>
                         }
                     }
                 },
-                // {
-                //     id: '6JI7',
-                //     info: 'small: NMR structure with RCI'
-                // },
+                {
+                    id: '8GK5',
+                    info: 'small: NMR structure with RCI',
+                    config: {
+                        props: {
+                            assemblyId: '1'
+                        }
+                    }
+                },
                 {
                     id: '3PQR',
                     info: 'medium: polymer, carbs, ligands',