Hi Wim, I would use pdbset and the I213 symops to generate 23 copies of the ASU contents, and append them to the existing I213 PDB file. The resulting P1 PDB file has the same cell constants as the I213 one.
But that's probably not what you want? Kay On Tue, 15 May 2018 10:51:15 +0200, Wim Burmeister <wim.burmeis...@ibs.fr> wrote: ><html> > <head> > <meta content="text/html; charset=windows-1252" > http-equiv="Content-Type"> > </head> > <body bgcolor="#FFFFFF" text="#000000"> > Hello,<br> > does anybody have a script which transforms the pdb file of a > structure in I-centred I213 into a pdb file based on the > corresponding primitive P1 unit cell ? A rotation matrix would also > do� which uses the matrix of the transformation from one coordinate > system to the other combined with the orthogonalisation convention > for the P1 cell.<br> > Best<br> > Wim<br> > -- <br> > <p style="margin-bottom: 0cm"><font face="Helvetica, Arial, > sans-serif"><font size="1">Wim Burmeister<br> > Professeur<br> > </font></font><font face="Helvetica, Arial, sans-serif"><font > size="1">Institut de Biologie Structurale (IBS) CIBB<br> > </font></font><font face="Helvetica, Arial, sans-serif"><font > size="1">71 avenue des Martyrs</font></font></p> > <font face="Helvetica, Arial, sans-serif"><font size="1">CS > 20192</font></font><font > face="Helvetica, Arial, sans-serif"><font size="1"><br> > 38044 Grenoble Cedex 9</font></font>, <small>FRANCE</small><font > face="Helvetica, Arial, sans-serif"><font size="1"><br> > E-mail: </font></font><font face="Helvetica, Arial, sans-serif"><font > size="1"><a class="moz-txt-link-abbreviated" > href="mailto:wim.burmeis...@ibs.fr";>wim.burmeis...@ibs.fr</a></font></font><font > face="Helvetica, Arial, sans-serif"><font size="1"><span > lang="fr-FR"><br> > Tel:��� +33 (0) 457 42 87 41������ Fax: +33 (0) 476 20 94 > 00</span></font></font><br> > <a >href="http://www.ibs.fr/research/research-groups/viral-replication-machines-group-m-jamin/team-03/article/poxvirus-replication-machinery-presentation/";><font > face="Helvetica, Arial, sans-serif"><font size="1"><span > lang="fr-FR">website</span></font></font></a><br> > <a >href="https://www.openstreetmap.org/?mlat=45.20762&mlon=5.69255#map=17/45.20762/5.69255";><font > size="1"><font face="Helvetica, Arial, sans-serif"><font > face="Helvetica, Arial, > sans-serif">map</font></font></font></a><br> > <font size="2"><i><br> > </i></font><br> > </body> ></html>
