[gmx-users] change the ligand in pdb file

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Wed May 9 11:23:15 CEST 2007


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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 Florian Haberl                        
 Universitaet Erlangen/ Nuernberg
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 Telephone:  	+49(0) − 9131 − 85 26581
 Mailto: florian.haberl AT chemie.uni-erlangen.de

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