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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Mon May 30, 2011 12:10 pm 
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Joined: Mon May 30, 2011 11:46 am
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How I have to handel "tetrazole"-subgroups when I'am docking with vina? The import with "open Babel" works well, but the translation afterwarts in a pdbqt-file fail. The programm konvert the tetrazole in a dihydro-tetrazole during the docking.


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