[gmx-users] change the ligand in pdb file
moonfine at mail.sdu.edu.cn
Thu May 10 11:46:34 CEST 2007
Dear Erik and Florian,
Thanks for your reply.In my pdb file, the ligand has has been bound with the
enzyme(there is a bond between them), and I just want change the side chain of the
ligand, should I use a docking?
On Wednesday, 9. May 2007 10:45, Rui Li wrote:
> Dear all,
> I want to change the ligand in pdb file(add,delete atoms and change
> conformation),Who can introduce a software to me?
> Any reply is appreciated.Thanks in advance
>As Erik said pymol is a possible solution, but i don`t think that you can
>easily change conformation of the ligand, for this i would use a docking
>suite like autodock or something similar, cause you want valid or bioactive
>conformations of your ligand.
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