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@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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