<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">not sure but I think that xyz file format requires a blank line after the first one<div>(the one containing the number of atoms).</div><div><br></div><div>Giovanni</div><div><br><div><div>On Feb 10, 2010, at 12:19 PM, Erwin Rossen wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Hello!<br><br>I have an xyz file which starts with:<br><br> 52 # atoms within limits=cell_PL<br>Ag 0.000000 0.000000 0.000000<br>Ag 1.467250 -0.847120 2.396000<br>Ag -1.467250 -0.847120 2.396000<br>Ag 0.000000 1.694230 2.396000<br>Ag -1.467250 0.847110 4.792010<br>Ag 0.000000 -1.694230 4.792010<br>....<br><br>XCrySDen does not open this. How should I change the header such that<br>XCrySDen can open it?<br><br>Best,<br>Erwin Rossen<br>_______________________________________________<br>XCrySDen mailing list<br><a href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br>http://www.democritos.it/mailman/listinfo/xcrysden<br><br></div></blockquote></div><br><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div><br class="Apple-interchange-newline"><br></div><div><br></div><div>--</div><div><br></div><div>Dr. Giovanni Cantele<br>Coherentia CNR-INFM and Dipartimento di Scienze Fisiche<br>Universita' di Napoli "Federico II"<br>Complesso Universitario di Monte S. Angelo - Ed. 6<br>Via Cintia, I-80126, Napoli, Italy<br>Phone: +39 081 676910<br>Fax: +39 081 676346<br>E-mail: <a href="mailto:giovanni.cantele@cnr.it">giovanni.cantele@cnr.it</a><br> <a href="mailto:giovanni.cantele@na.infn.it">giovanni.cantele@na.infn.it</a><br>Web: <a href="http://people.na.infn.it/~cantele">http://people.na.infn.it/~cantele</a><br>Research Group: <a href="http://www.nanomat.unina.it/">http://www.nanomat.unina.it</a><br>Skype contact: giocan74</div></span>
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