<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear all,<div><br></div><div>I am currently trying to phase a structure at relatively low resolution using a TaBr cluster.</div><div>When using the SPHCLUSTER keyword to assign both the Ta and Br C-sites to the same G-site (example of the SIN file below) I get the following error message :</div><div><br></div><div><div apple-content-edited="true"><br></div><img name="Bildschirmfoto 2014-04-07 um 11.32.23.png" id="dadd532a-b13b-4587-87b5-9670699f674f" height="139" width="384" apple-width="yes" apple-height="yes" src="cid:727A3A7A-73AA-4206-B314-AB0C4ED1D920@vist.pasteur.fr"></div><div><br></div><div>Here is a viw of the relevant part of the SIN file. Any help would be greatly appreciated !!!</div><div><br></div><blockquote style="margin: 0 0 0 40px; border: none; padding: 0px;"><div><div><div>G-SITES {</div></div></div><div><div><div> G-SITE-01 X 0.944 REFINE Y 0.329 REFINE Z 0.011 REFINE</div></div></div><div><div><div> G-SITE-02 X 1.096 REFINE Y 0.390 REFINE Z -0.057 REFINE</div></div></div><div><div><div> G-SITE-03 X 0.811 REFINE Y 0.016 REFINE Z 0.055 REFINE</div></div></div><div><div><div> G-SITE-04 X 0.983 REFINE Y 0.205 REFINE Z 0.011 REFINE</div></div></div><div><div><div> G-SITE-05 X 1.290 REFINE Y 0.439 REFINE Z -0.030 REFINE</div></div></div><div><div><div> G-SITE-06 X 1.319 REFINE Y 0.489 REFINE Z 0.004 REFINE</div></div></div><div><div><div> G-SITE-07 X 0.741 REFINE Y 0.072 REFINE Z 0.159 REFINE</div></div></div><div><div><div> G-SITE-08 X 1.383 REFINE Y 0.490 REFINE Z -0.070 REFINE</div></div></div><div><div><div> G-SITE-09 X 1.339 REFINE Y 0.575 REFINE Z -0.068 REFINE</div></div></div><div><div><div> G-SITE-10 X 1.345 REFINE Y 0.420 REFINE Z -0.137 REFINE</div></div></div><div><div><div> G-SITE-11 X 1.444 REFINE Y 0.509 REFINE Z -0.107 REFINE</div></div></div><div><div><div> G-SITE-12 X 1.086 REFINE Y 0.327 REFINE Z -0.233 REFINE</div></div></div><div><div><div>}</div></div></div><div><div><div>COMPOUND {</div></div></div><div><div><div> COMPOUND-TEXT {</div></div></div><div><div><div> native dataset (nat)</div></div></div><div><div><div> }</div></div></div><div><div><div> C-SITES {</div></div></div><div><div><div> }</div></div></div><div><div><div> CRYSTAL {</div></div></div><div><div><div> CRYSTAL-TEXT {</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITES {</div></div></div><div><div><div> }</div></div></div><div><div><div> WAVELENGTH {</div></div></div><div><div><div> WAVELENGTH-TEXT {</div></div></div><div><div><div> }</div></div></div><div><div><div> RESOLUTION 45.13 4.20</div></div></div><div><div><div> BATCH {</div></div></div><div><div><div> BATCH-TEXT {</div></div></div><div><div><div> }</div></div></div><div><div><div> SCAL_K 1.0 NOREFINE ESTIMATE</div></div></div><div><div><div> SCAL_B 0.0 NOREFINE NOESTIMATE</div></div></div><div><div><div> SCAL_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE NOESTIMATE</div></div></div><div><div><div> NISO_BGLO 0.0 REFINE NOESTIMATE</div></div></div><div><div><div> NISO_CLOC 0.0 NOREFINE NOESTIMATE</div></div></div><div><div><div> NISO_BLOC 0.0 NOREFINE NOESTIMATE</div></div></div><div><div><div> NANO_BGLO 0.0 NOREFINE NOESTIMATE</div></div></div><div><div><div> NANO_CLOC 0.0 NOREFINE NOESTIMATE</div></div></div><div><div><div> NANO_BLOC 0.0 NOREFINE NOESTIMATE</div></div></div><div><div><div> HATOM_LABEL {</div></div></div><div><div><div> }</div></div></div><div><div><div> OBSFILE HAP2TaS20140404-unique.data.mtz</div></div></div><div><div><div> COLUMNS H=H K=K L=L FMID=FMIDnat SMID=SMIDnat </div></div></div><div><div><div> }</div></div></div><div><div><div> }</div></div></div><div><div><div> }</div></div></div><div><div><div>}</div></div></div><div><div><div>COMPOUND {</div></div></div><div><div><div> COMPOUND-TEXT {</div></div></div><div><div><div> derivative 1 (Ta_peak)</div></div></div><div><div><div> }</div></div></div><div><div><div> C-SITES {</div></div></div><div><div><div> C-SITE-01 G-SITE-01 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-02 G-SITE-02 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-03 G-SITE-03 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-04 G-SITE-04 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-05 G-SITE-05 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-06 G-SITE-06 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-07 G-SITE-07 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-08 G-SITE-08 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-09 G-SITE-09 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-10 G-SITE-10 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-11 G-SITE-11 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-12 G-SITE-12 Ta SPHCLUSTER Ta6Br12:Ta</div></div></div><div><div><div> C-SITE-13 G-SITE-01 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-14 G-SITE-02 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-15 G-SITE-03 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-16 G-SITE-04 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-17 G-SITE-05 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-18 G-SITE-06 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-19 G-SITE-07 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-20 G-SITE-08 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-21 G-SITE-09 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-22 G-SITE-10 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-23 G-SITE-11 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> C-SITE-24 G-SITE-12 Br SPHCLUSTER Ta6Br12:Br</div></div></div><div><div><div> }</div></div></div><div><div><div> CRYSTAL {</div></div></div><div><div><div> CRYSTAL-TEXT {</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITES {</div></div></div><div><div><div> T-SITE-01 {</div></div></div><div><div><div> C-SITE-01</div></div></div><div><div><div> HAT_OCC 1.00 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-02 {</div></div></div><div><div><div> C-SITE-02</div></div></div><div><div><div> HAT_OCC 0.93 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-03 {</div></div></div><div><div><div> C-SITE-03</div></div></div><div><div><div> HAT_OCC 0.91 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-04 {</div></div></div><div><div><div> C-SITE-04</div></div></div><div><div><div> HAT_OCC 0.46 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-05 {</div></div></div><div><div><div> C-SITE-05</div></div></div><div><div><div> HAT_OCC 0.46 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-06 {</div></div></div><div><div><div> C-SITE-06</div></div></div><div><div><div> HAT_OCC 0.41 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-07 {</div></div></div><div><div><div> C-SITE-07</div></div></div><div><div><div> HAT_OCC 0.39 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-08 {</div></div></div><div><div><div> C-SITE-08</div></div></div><div><div><div> HAT_OCC 0.28 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-09 {</div></div></div><div><div><div> C-SITE-09</div></div></div><div><div><div> HAT_OCC 0.24 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-10 {</div></div></div><div><div><div> C-SITE-10</div></div></div><div><div><div> HAT_OCC 0.24 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-11 {</div></div></div><div><div><div> C-SITE-11</div></div></div><div><div><div> HAT_OCC 0.22 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-12 {</div></div></div><div><div><div> C-SITE-12</div></div></div><div><div><div> HAT_OCC 0.21 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-13 {</div></div></div><div><div><div> C-SITE-13</div></div></div><div><div><div> HAT_OCC 1.00 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-14 {</div></div></div><div><div><div> C-SITE-14</div></div></div><div><div><div> HAT_OCC 0.93 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-15 {</div></div></div><div><div><div> C-SITE-15</div></div></div><div><div><div> HAT_OCC 0.91 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-16 {</div></div></div><div><div><div> C-SITE-16</div></div></div><div><div><div> HAT_OCC 0.46 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-17 {</div></div></div><div><div><div> C-SITE-17</div></div></div><div><div><div> HAT_OCC 0.46 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-18 {</div></div></div><div><div><div> C-SITE-18</div></div></div><div><div><div> HAT_OCC 0.41 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-19 {</div></div></div><div><div><div> C-SITE-19</div></div></div><div><div><div> HAT_OCC 0.39 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-20 {</div></div></div><div><div><div> C-SITE-20</div></div></div><div><div><div> HAT_OCC 0.28 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-21 {</div></div></div><div><div><div> C-SITE-21</div></div></div><div><div><div> HAT_OCC 0.24 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-22 {</div></div></div><div><div><div> C-SITE-22</div></div></div><div><div><div> HAT_OCC 0.24 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-23 {</div></div></div><div><div><div> C-SITE-23</div></div></div><div><div><div> HAT_OCC 0.22 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> T-SITE-24 {</div></div></div><div><div><div> C-SITE-24</div></div></div><div><div><div> HAT_OCC 0.21 REFINE</div></div></div><div><div><div> HAT_B 150.0 NOREFINE</div></div></div><div><div><div> HAT_B6_ADD 0.0 0.0 0.0 0.0 0.0 0.0 NOREFINE</div></div></div><div><div><div> }</div></div></div><div><div><div> }</div></div></div></blockquote><div><div><br class="webkit-block-placeholder"></div></div><div><br><br>Thanks a lot in advance<br><br>Best<br><br>Thomas<br><br><br><br><br><br><br><div>Dr. Thomas Krey<br>Institut Pasteur<br>Structural Virology Unit<br>25-28 Rue du Docteur Roux<br>75015 Paris<br>France</div></div><div><a href="mailto:tkrey@pasteur.fr">tkrey@pasteur.fr</a></div></body></html>