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 mailto:[email protected]> 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

_______________________________________________ phenixbb mailing list [email protected] mailto:[email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected] mailto:[email protected]

-- Project Scientist, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory 1 Cyclotron Road, M/S 33R0345 Berkeley, CA 94720 Tel: (510) 486-5709 Fax: (510) 486-5909 Web: https://phenix-online.org https://phenix-online.org/

_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]