[phenixbb] Adding multiple conformers beyond 4
Pavel Afonine
PAfonine at lbl.gov
Tue Sep 15 10:22:36 PDT 2009
Hi Ben,
to allow so I will have to slightly change the code... I went through
the whole PDB and did not find any item that has more than 3 or 4
conformers (at the moment of coding this). So that made my choice for
that temporary limitation of max=4 conformers (putting aside a number of
cases of abusing altlocs to mimic multiple models MODEL-ENDMDL).
Unfortunately, nothing is so permanent as temporary, so we have 4 since
that -:)
May I ask you: why you need to have more than 4 conformers? If it is
really a bottleneck and stops you from doing something important right
now, I can go ahead and fix it.
Pavel.
On 9/15/09 9:20 AM, Ben Mueller wrote:
> I am a relatively new Phenix user and I am trying to see if it is
> possible to push the number of conformers beyond 4. I tried to do so,
> and I recieved the error message:
>
> RuntimeError: Exceed maximum allowable number of conformers (=4).
>
> Is there an easy (or difficult) way around this?
>
> Thanks for your time,
>
> Ben Mueller
>
> Phillips Lab
> Department of Biochemistry
> University of Wisconsin - Madison
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