ADL: Draw chemical structure for Autodock vina

Chau Phi DINh dinhchauphi at gmail.com
Sun Jul 10 09:02:47 PDT 2016


Dear all,

     I'm a Master student in pharmacy studies in France. I'm learning how
to use autodock vina and I have a problem when I draw chemical structure.
At first, I use ChemBioDraw to draw the structure and after I copy SMILES
to https://cactus.nci.nih.gov/translate/ to translate it into pdb file. The
problem is some double bonds C=C recognized as single bond.

    Can you give me some advices about it?

     Thank you so much,

    Kind regards,

Dinh Chau Phi


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