<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto">Thank you very much,<div>I will try it.</div><div>Greetings,</div><div>Anna<br><div dir="ltr"><br>Am 17.07.2019 um 11:31 schrieb Patrick Gono <<a href="mailto:patri...@gmail.com">patri...@gmail.com</a>>:<br><br></div><blockquote type="cite"><div dir="ltr"><div dir="ltr"><div>Dear Anna,</div><div><br></div><div>Assuming you have an orthogonal cell with interfaces parallel to the xy plane, you can use a script similar to the one attached to this response. I hope you are okay with Python.</div><div>The parsing of the cube file follows the cube file format explained here: <a href="http://paulbourke.net/dataformats/cube/">http://paulbourke.net/dataformats/cube/</a></div><div><br></div><div>Yours sincerely,</div><div>Patrick Gono<br></div><div><br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, 17 Jul 2019 at 09:56, Anna Anic <<a href="mailto:aan...@gmail.com">aan...@gmail.com</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"><div dir="ltr">Dear All,<div><br></div><div>I have a question concerning the analysis of the electron density cube file. How can I get the total number of electrons in a certain region of my system, meaning is there a tool that integrates the density for given z values? </div><div>The system contains a salb+waterbilayer and I want to sum the values up between those boundaries. </div><div>Thanks in advance</div><div><br></div><div>Greetings,</div><div>Anna</div><div><br></div></div>
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</div></blockquote><blockquote type="cite"><div dir="ltr"><integrate_cube.py></div></blockquote></div></body></html>