Re: [modeller_usage] links generation

[Modeller Caretaker <modeller-care@ucsf.edu>]

On 1/3/10 10:18 PM, subarna thakur wrote:
> I am using modeller-ligand.py script of Modeller9v6 for generation of a
> ligand (FE4S4 cluster ) for my modelled protein. The co-ordinates of the
> FE atoms and S atoms have been generated but the connect information are
> missing. Is there a way that somehow the ligands co-ordinates along with
> the connect information can be generated by the Modeller?

Unfortunately not - Modeller does not generate PDB CONECT records. 
Furthermore, for BLK residues it does not even know the internal 
connectivity of each ligand - it simply copies the coordinates from the 
template.

	Ben Webb, Modeller Caretaker
--
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