[phenixbb] Question about Adding Hydrogens

[Louis Lazar]

Would just like to thank everyone for all of their helpful suggestions. Was
doing a lot of replies off list. Thanks again.

Louis


On Tue, Mar 1, 2011 at 1:18 AM, Pavel Afonine <pafonine at lbl.gov> wrote:

>  Hi Jared,
>
>
>  2. In PyMOL (or another similarly capable program), load the molecule,
>> remove the unwanted hydrogens, and save the new pdb. If you're not familiar
>> with PyMOL selection syntax, try something like this:
>>
>>        load model_reduce.pdb
>>        remove (elem H and not resi 10)
>>        save model_resi10_H.pdb, model_reduce
>>
>
> you could do it in PHENIX:
>
> phenix.pdbtools model_with_H.pdb remove="element H and not (chain A and
> resseq 10)"
>
> Pavel.
>
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