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tweaked max ca -ca distance for dssp hbond calc

Alexander Rose 6 年之前
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ff8c751fce
共有 1 个文件被更改,包括 1 次插入1 次删除
  1. 1 1
      src/mol-model/structure/model/properties/utils/secondary-structure.ts

+ 1 - 1
src/mol-model/structure/model/properties/utils/secondary-structure.ts

@@ -86,7 +86,7 @@ namespace DSSPType {
 }
 }
 
 
 /** max distance between two C-alpha atoms to check for hbond */
 /** max distance between two C-alpha atoms to check for hbond */
-const caMaxDist = 9.0;
+const caMaxDist = 7.0;
 
 
 function calcAtomicTraceLookup3D(hierarchy: AtomicHierarchy, conformation: AtomicConformation) {
 function calcAtomicTraceLookup3D(hierarchy: AtomicHierarchy, conformation: AtomicConformation) {
     const { x, y, z } = conformation;
     const { x, y, z } = conformation;