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PostPosted: Sat Apr 14, 2012 3:06 am 
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Joined: Sat Apr 14, 2012 2:46 am
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Hi

I have several ligands with torsion number>32, I have tried to set the torsions to 32 by command line, but I haven't found the option to make this.

From the GUI I made this: torsion tree> set number of torsions> 32, how can I make this from command line? is there a command that make this?

I have prepared molecules with this:
./prepare_ligand4.py -l ligand.pdb -A 'bonds' -U 'nphs'

The ligands are peptides and I have a lot of ligand and the most ligand have number of torsion > 32

Can they help me?

Thank you.......


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