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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..<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 5/20/20 09:59, Dorothee Liebschner
wrote:<br>
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<blockquote type="cite"
cite="mid:CAAA+ObmgmLffev_c+Xa_svq-LOdvxAFPGCikBCGO0E7TSbu1Ww@mail.gmail.com">
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<div dir="ltr">Hi Petr,
<div><br>
</div>
<div>It is not possible to use coordinates instead of the atom
selection.</div>
<div><br>
</div>
<div>Best wishes,</div>
<div><br>
</div>
<div>Dorothee</div>
<div><br>
</div>
<div><br>
</div>
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<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Tue, May 19, 2020 at 4:31
AM Petr Kolenko <<a href="mailto:Petr.Kolenko@fjfi.cvut.cz"
target="_blank" moz-do-not-send="true">Petr.Kolenko@fjfi.cvut.cz</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px
0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear
colleagues,<br>
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?<br>
Best regards,<br>
Petr<br>
<br>
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