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Firstly, let me say that I am an organic chemistry graduate student and have very minimal experience with Blender itself. I am trying to use the atomic blender add on to make the molecules I have made in our computational software 3D printable.

However, currently I am experiencing trouble viewing the double bonds of any pdb file I import. I am exporting the file from Spartan Student. It is of pentafluorobenzene. The pdb file reads as such:

HEADER  
REMARK Spartan Student v7 exported M0001  
HETATM    1  H   UNK  0001       0.000   2.004  -4.575  
HETATM    2  C   UNK  0001       0.000   2.004  -3.479  
HETATM    3  C   UNK  0001       0.000   2.004  -0.707  
HETATM    4  C   UNK  0001       0.000   0.804  -2.786  
HETATM    5  C   UNK  0001       0.000   3.205  -2.786  
HETATM    6  C   UNK  0001       0.000   3.205  -1.400  
HETATM    7  C   UNK  0001       0.000   0.804  -1.400    
HETATM    8  F   UNK  0001       0.000  -0.394  -3.478  
HETATM    9  F   UNK  0001       0.000  -0.394  -0.708  
HETATM   10  F   UNK  0001       0.000   2.004   0.676  
HETATM   11  F   UNK  0001       0.000   4.402  -0.708  
HETATM   12  F   UNK  0001       0.000   4.402  -3.478  
CONECT    1    2   
CONECT    2    1    5    4  
CONECT    3    6    7   10  
CONECT    4    7    2    8  
CONECT    5    2    6   12  
CONECT    6    5    3   11  
CONECT    7    3    4    9  
CONECT    8    4  
CONECT    9    7  
CONECT   10    3  
CONECT   11    6  
CONECT   12    5  
END  

The structure opens fine, no errors appear. The bond box is checked. Everything is bonded as it should be EXCEPT I cannot see any double bonds. All of the bonds are represented by one stick, regardless of whether they are actually double bonds or single bonds.

Can anyone propose a solution to fix this? Thank you in advance.

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1 Answer 1

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PDB doesnt support bond types , check here https://discuss.avogadro.cc/t/pdb-file-format-and-double-bonds/2293 but you can edit the pdb file in a notepad like so :https://youtu.be/YNoow7qkwFA?t=364

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