Ok, I will try editing those files.

Cheers,

Osvaldo.


On Fri, Oct 11, 2013 at 12:12 AM, Jason Vertrees <jason.vertrees@schrodinger.com> wrote:
Hi Osvaldo,

This isn't built in yet. But, if you need to do that, you can edit the
Python picked files found here:

pymol/data/chempy/fragments

Cheers

-- Jason

On Thu, Oct 10, 2013 at 2:41 PM, Osvaldo Martin <aloctavodia@gmail.com> wrote:
>
> I am using the comand cmd.fab() to create small peptides. There is an easy
> option to add neutral aminoacids? The default behaviour is to add charged
> amino acids with the charge of the free amino acid in solution at pH = 7
> i.e. Lys and Arg protonated and Glu, Asp and His unprotonated.
>
> Thanks in advance.
>
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--
Jason Vertrees, PhD
Director of Core Modeling Products
Schrödinger, Inc.

(e) Jason.Vertrees@schrodinger.com
(o) +1 (603) 374-7120