I have run a docking of Actinonin on 2OS3 and got an optimized coordinates for the grid box to result in rmsd less than 2. However, when I tried to visualized it using Biovia discovery studio, the ligand (Actinonin) doesn't appear. I have docked it several times, but still can't show the ligand in Biovia.
oyea, when I checked it by using chimeraX, the ligand can appear in the complex with the protein. but still, in the Biovia discovery studio resulted nothing.
Any suggestion, please!
Which means, the ligand was not identified by Discovery Studio (DS) .
Prior that, better you can open the complex file using PyMOL or Chimera and save as pdb format again.
Now open DS Click "Ctrl+H" > select "Hetatm" (refers the ligand atoms).
At left top corner you can find and select "Define Ligand: complex:(UNK1)" option for further interaction analysis.
Thanks, Ramakrishnan
The complex-ligand looks perfectly in ChimeraX, but not in Biovia DS.
I save the complex file in pdb format and open it Biovia DS.
I have tried to click Ctrl+H, but there is no option to select Hetatm. and in the left corner, "Define Ligand: is undefined" .
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