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Metallic and ionic bonds shown as covalent

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  • F
    F
    Federico Maria
    wrote on last edited by
    #1

    Hi there! I am using diagram interaction images for my thesis project and loading the pdb 5syi, the ligand interacts with eme but as coordination as shown correctly on pdb. However, when loading the very same pdb on samson those coordination bonds are shown as covalent and of course gets worse in diagram visualization

    DmitriyMarinD 2 Replies Last reply
    0
    • F Federico Maria

      Hi there! I am using diagram interaction images for my thesis project and loading the pdb 5syi, the ligand interacts with eme but as coordination as shown correctly on pdb. However, when loading the very same pdb on samson those coordination bonds are shown as covalent and of course gets worse in diagram visualization

      DmitriyMarinD
      DmitriyMarinD
      DmitriyMarin
      wrote on last edited by
      #2

      Hi @Federico-Maria ,

      Sorry about the issue and for the delay.
      As a temporary solution, you can select these bonds and delete them.
      We will check and see about the necessary modifications.

      Dmitriy,
      The SAMSON Team, https://s-c.io

      1 Reply Last reply
      0
      • F Federico Maria

        Hi there! I am using diagram interaction images for my thesis project and loading the pdb 5syi, the ligand interacts with eme but as coordination as shown correctly on pdb. However, when loading the very same pdb on samson those coordination bonds are shown as covalent and of course gets worse in diagram visualization

        DmitriyMarinD
        DmitriyMarinD
        DmitriyMarin
        wrote on last edited by
        #3

        Hi @Federico-Maria ,

        We have modified the behavior of the importers - they should not create covalent bonds for metal coordinations. It previously considered all connections described in the file as covalent ones. The corresponding modules will be updated automatically for you once you restart SAMSON.

        Dmitriy,
        The SAMSON Team, https://s-c.io

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