<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi! I'm sorry for the problem. <div>Can you try adding this:</div><div><br></div><div><blockquote type="cite"><div>lig_map_type=pre_calculated_map_coeffs</div></blockquote><div><br></div><div>Let me know if that still doesn't do it. Perhaps if you could send me (not the list) the input files I can check it out if so.</div><div><br></div>All the best,</div><div>Tom T</div><div><br><div><div><div>On Feb 24, 2010, at 11:23 AM, ucbccka wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>I am getting an error when trying to run phenix.ligandfit in the version<br>phenix-1.6-289.<br><br>I am trying to get it to use an mtz generated via refmac <recoils at the<br>chorus of booooo's> and fit the ligand into the difference map.<br><br>If I run<br>phenix.ligandfit data=phaser_1.1_refmac1.mtz<br>model=phaser_1.1_refmac1.pdb ligand=ATP.pdb<br><br>It complains about my labels, saying..<br><br><br>*********************************<br>Sorry, input labels or map type unclear for<br> phaser_1.1_refmac1.mtz<br>For lig_map_type=pre_calculated_map_coeffs supply F and PHI (optionally FOM)<br>(or 2FOFCWT and PH2FOFCWT)<br>For lig_map_type=fo-fc_difference_map supply one column label for FP<br>For lig_map_type=fobs_map supply one column label for FP<br><br>Please specify which lig_map_type above you would like and also specify the<br>necessary input column labels for your map like one of these samples:<br>input_labels="FP"<br>input_labels="2FOFCWT PH2FOFCWT"<br>input_labels="FP PHIB FOM"<br>*************************************<br><br>Looking at the documentation I tried getting PHENIX to tell me what labels<br>it could see by running that autosol query and it kindly told me that my<br>mtz file contained<br><br>************************<br>'FreeR_flag'<br>'F_New'<br>'SIGF_New'<br>'FC'<br>'PHIC'<br>'FC_ALL'<br>'PHIC_ALL'<br>'FWT'<br>'PHWT'<br>'DELFWT'<br>'PHDELWT'<br>'FOM'<br>**************************<br><br>so, I ran<br><br>phenix.ligandfit data=phaser_1.1_refmac1.mtz<br>model=phaser_1.1_refmac1.pdb ligand=ATP.pdb input_labels="DELFWT<br>PHDELWT"<br><br>and got the original message complaining that my labels are unclear.<br><br>I even used the GUI, it recognises all the pairs of labels giving me the<br>options to look at each map if I want and then..... complains that my<br>labels are unclear.<br><br>Clearly my labels are unclear, but I am now unclear how to proceed.<br><br>If anyone could suggest something please then I would be most<br>appreciative. Clearly.<br><br>cheers<br><br><br>_______________________________________________<br>phenixbb mailing list<br><a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br>http://phenix-online.org/mailman/listinfo/phenixbb<br></div></blockquote></div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; 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: 0; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div><div><div><div><br>Thomas C. Terwilliger<br>Mail Stop M888<br>Los Alamos National Laboratory<br>Los Alamos, NM 87545<br><br>Tel: 505-667-0072 email: <a href="mailto:terwilliger@LANL.gov">terwilliger@LANL.gov</a><br>Fax: 505-665-3024 SOLVE web site: <a href="http://solve.lanl.gov">http://solve.lanl.gov</a><br>PHENIX web site: http:<a href="http://www.phenix-online.org">www.phenix-online.org</a><br>ISFI Integrated Center for Structure and Function Innovation web site: <a href="http://techcenter.mbi.ucla.edu">http://techcenter.mbi.ucla.edu</a><br>TB Structural Genomics Consortium web site: <a href="http://www.doe-mbi.ucla.edu/TB">http://www.doe-mbi.ucla.edu/TB</a></div><div>CBSS Center for Bio-Security Science web site: <a href="http://www.lanl.gov/cbss">http://www.lanl.gov/cbss</a><br><br></div></div></div></div><br></div></div></span><br class="Apple-interchange-newline"> </div><br></div></div></body></html>