[phenixbb] Generating a polder map using coordinates

Pavel Afonine pafonine at lbl.gov
Wed May 20 10:56:06 PDT 2020


Technically it should be possible if you place dummy atoms (say HOH) 
into the model at positions you want and then use atom selection to 
select these atoms for polder..

Pavel

On 5/20/20 09:59, Dorothee Liebschner wrote:
> Hi Petr,
>
> It is not possible to use coordinates instead of the atom selection.
>
> Best wishes,
>
> Dorothee
>
>
>
> On Tue, May 19, 2020 at 4:31 AM Petr Kolenko 
> <Petr.Kolenko at fjfi.cvut.cz <mailto:Petr.Kolenko at fjfi.cvut.cz>> wrote:
>
>     Dear colleagues,
>     Is there a way to calculate the polder map in a selected box using
>     coordinates instead of atom selection as shown in the "Generating
>     a polder map with the compute_box option" website?
>     Best regards,
>     Petr
>
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