Re: [modeller_usage] Reading in water residues

On 9/23/12 9:28 AM, Sajeewa Pemasinghe wrote: > so both of them use 'HETATM' . So my question is if we have asked the > modeller to read ALL HETATM records by setting env.io.hetatm=true, do we > have to specifically say again, to add waters by env.io.water=true.

From the manual for env.io.hetatm, at http://salilab.org/modeller/9.11/manual/node141.html

"If set to True, then all non-water 'HETATM' records are read from PDB files".

So the answer to your question is: yes, you have to set env.io.water=True if you want to read waters.

Ben Webb, Modeller Caretaker