Dear All,<br><br>Anyone has the Autosharp running with unmerged scalepack file? I took a scalepack file (with "no merge original index" option) and run autosharp. There is only "unit cell" in the autosharp setup, so I put in the cell constant, and the sca file has the space group info in the header. But the autosharp run failed and complained "difference in space group, input=(empty) from file=C2221". I can see nowhere I can manually input the space group information.
<br><br>So I tried the ccp4i approach and hope I could get around with this problem. But the run also failed, but with difference error message, "ERROR : data file output.sca for wavelength 1 is not a MTZ file". In the ccp4i window I DID choose the "input file is in SCALEPACK (unmerged) format" option.
<br><br>I'm very confused now. Anyone can give me a clue what went wrong?<br><br>Many thanks.<br><br>Jinsong<br><br><pre>Jinsong Liu, Ph.D.<br>Investigator<br>Guangzhou Institute of Biomedicine and Health (GIBH)<br>Chinese Academy of Sciences
<br>Guangzhou ( Canton ) 510663, China<br>Phone: 86-20-32290431 (Office)<br>E-mail: <a class="moz-txt-link-abbreviated" href="mailto:liu_jinsong@gibh.ac.cn">liu_jinsong@gibh.org</a><br>Second E-mail: <a class="moz-txt-link-abbreviated" href="mailto:liu_jinsong@gibh.ac.cn">
jinsong.liu@gmail.com</a><br><br></pre><br><br>