ADL: writing out the docked conformation
maryvj1985 at gmail.com
Thu May 10 22:16:14 PDT 2012
Do any one know the difference between merging or not merging nonpolar
hydrogen in setting up the macromolecule file.
On Thu, May 10, 2012 at 5:37 PM, Rupal Chauhan <chauhanrupal757 at gmail.com>wrote:
> This is the personal ID and m not a web-sever to solve your question.
> But, you ask the autodock related question and I know about it so i
> tell you.
> After loading the ligand.dlg file and you viewing the Conformations
> then, go to the Analyse>Conformations>Play.
> Press "&" button on play conformation widget
> Click "Write Complex" (Save complex.pdbqt)
> Delete all molecules from viewer.
> File>Read molecule>complex.pdbqt
> File>Save>Write PDB (Save complex.pdb)
> -Rupal Chauhan
> On 5/10/12, Mary Varughese <maryvj1985 at gmail.com> wrote:
> > Hi,
> > After loading the ligand.dlg file & the protein structure and viewing the
> > conformations how can i write the docked complex as a pdb file. When
> > to save the ligand-protein complex it says cannot be saved, more than
> > one molecules are there. Then how can i write out the pdb.
> > Thanking you
> > --
> > Mary Varughese
> > Research Scholar
> > School of Pure and Applied Physics
> > Mahatma Gandhi University
> > India
> > ________________________________________________
> > --- ADL: AutoDock List --- http://autodock.scripps.edu/mailing_list ---
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School of Pure and Applied Physics
Mahatma Gandhi University
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