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  1. UGENE
  2. UGENE-7198

Structural Alignment works differently for prt and pdb files

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    Details

    • Type: Bug
    • Status: Open
    • Priority: Minor
    • Resolution: Unresolved
    • Affects Version/s: None
    • Fix Version/s: None
    • Component/s: None
    • Labels:
    • Affect Type:
      Userdefined

      Description

      Scenario for pdb

      1. Open data/samples/PDB/1CF7.PDB
      2. Right click on 3D view, select "Structural Alignment->Align With..."
      3. Click OK in Structural Alignment dialog. Check Task report [StructuralAlignmentTask]:

       

      Status  Finished
      Time    0h 00m 00.013s
      
      Structural alignment finished on 1CF7 chains [1,2,3,4] model 1 (reference) vs 1CF7 chains [1,2,3,4] model 1
      RMSD = 0
      Transform = 1 0 0 0
                  0 1 0 0
                  0 0 1 0
                  0 0 0 1
      

      Scenario for prt

      1. Open _common_data/mmdb/2ZNL.prt
      2. Repeat the same steps
        Current state: Task report [StructuralAlignmentTask]
        Status  Finished
        Time    0h 00m 00.030s
        
        Structural alignment finished on 2ZNL chains [1,2] model 3 (reference) vs 2ZNL chains [1,2] model 3
        RMSD = nan
        Transform = nan nan nan nan
                    nan nan nan nan
                    nan nan nan nan
                    0   0   0   nan
        

         

       Also, instead of a 3D model, a black screen becomes, which disappears after clicking "Structural Alignment->Reset"

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            Assignee:
            dsukhomlinov Dmitrii Sukhomlinov
            Reporter:
            biserova Evelina
            Watchers:
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              Dates

              Created:
              Updated: