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 Post subject: convert hin to pdb
PostPosted: Wed Jan 08, 2014 7:51 am 
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Joined: Wed Jan 08, 2014 7:40 am
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Hi,
now i'm working with 2 compounds that containing metal. One contains Cu(I) and another one contains Tc(I). After I finish draw the molecule, I run the Geometry Optimization with ZindoI as basis.
After the optimization finish, I want to use this molecule as ligand in autodock. So I need to convert hin file to pdb file (in order to open this molecule in autodock).
But, after I do "save as" then choose pdb, my molecule become planar (in hin file, it is tetrahedral) and when I open it in autodock, many atom missing there.
Anyone know how to fix this?
Thank you.


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