<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">I get an error in reading the .hhr file:<div><br></div><div><div><div>Loading PDB and alignment files from /work/ncronin/cdc23/23_HG_14/xds_Cdc23-23_HG_14w1_run1_1/phenix/MR_ROSETTA_5/WORK_1/5791278_1/5791278_ed.hhr</div><div>Log file for mr_model_preparation is: /work/ncronin/cdc23/23_HG_14/xds_Cdc23-23_HG_14w1_run1_1/phenix/MR_ROSETTA_5/WORK_1/5791278_1/mr_model_preparation.log </div><div><br></div><div>******************* ERROR ENDING ***************</div><div>Uninterpretable: 'Q ss_pred hhhHHHHHHHHHhc---CCCcccHHHHHHHHHHHHhHhhhHhHHhhhcCCCccccchhHHHHHHHHHHHHhccCCCCchh\nQ 82 DCKEFERAAYTLQN---CKSSKSIFLRLYSKYLAGEKKSEEENETLLNTNLTLSSTNREFYYISEVLESLHYQGNKDPYL 158 (285)\nQ Consensus 82 ~~~~~~~A~~~l~~---~~~~~~~~~~~~~~~l~~~~~~~~~~~~~~~~~~~~~~~~~l~~a~~~~~~~~~~~~~~~~~~ 158 (285)\n ..|+|++|+..+++ .+.....+...+.......+..+ ++..++++++. .|.+..+\nT Consensus 35 elG~y~~Ai~~~~~al~~~p~~~~~~~~lg~~~~~~g~~~~--------------------A~~~~~~al~~-~p~~~~~ 93 (243)\nT 2q7f_A 35 EFGDYEKAAEAFTKAIEENKEDAIPYINFANLLSSVNELER--------------------ALAFYDKALEL-DSSAATA 93 (243)\nT ss_dssp -------CCTTHHHHHTTCTTCHHHHHHHHHHHHHTTCHHH--------------------HHHHHHHHHHH-CTTCHHH\nT ss_pred HcCCHHHHHHHHHHHHHhCCCCHHHHHHHHHHHHHCCCHHH--------------------HHHHHHHHHhc-CCccHHH\n\n\nQ ss_pred HHHHHHHHHHcCCHHHHHHHHHHHHHhCCCCHHHHHHHHHHHhcHHHHHHHH-------HhCCcccHHHHHHHHHHHHHH\nQ 159 LYLSGVVYRKRKQDSKAIDFLKSCVLKAPFFWSAWLELSLSIDSLETLTTVV-------SQLPSTHIMTKIFYVYASHEL 231 (285)\nQ Consensus 159 ~~~~g~~~~~~~~~~~A~~~~~~al~~~p~~~~~~~~l~~~~~~~~~~~~al-------~~~p~~~~~~~~~~~~~~~~~ 231 (285)\n +..+|.++...+++++|+..|.+++...|.+...+..++.++...++++.++ ...| .....+..+|.++...\nT Consensus 94 ~~~l~~~~~~~~~~~~a~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~A~~~~~~~~~~~~-~~~~~~~~l~~~~~~~ 172 (243)\nT 2q7f_A 94 YYGAGNVYVVKEMYKEAKDMFEKALRAGMENGDLFYMLGTVLVKLEQPKLALPYLQRAVELNE-NDTEARFQFGMCLANE 172 (243)\nT ss_dssp HHHHHHHHHHTTCHHHHHHHHHHHHHHTCCSHHHHHHHHHHHHHTSCHHHHHHHHHHHHHHCT-TCHHHHHHHHHHHHHH\nT ss_pred HHHHHHHHHHhccchhhHHHHHHHHhhhhhhHHHHHHHHHHHHHHHhHHHHHHHHHHHHHhCC-ccHHhhhhhhhhhhhc\n\n\nQ ss_pred hcchHHHHHHHHHHHhhCCCChHHHHHHHHHHHHhcCHHHHHHHHHHHHHHCcC\nQ 232 HQVNSSAYEKLAEAEIIFPNSRYLKTQRALLTYDSRDFDEAESLFENILTNDPA 285 (285)\nQ Consensus 232 ~~~~~A~~~~~~~al~~~p~~~~~~~~la~~~~~~~~~~~A~~~~~~al~~~P~ 285 (285)\n +++++|+ ..++++++..|+++.++..+|.++..+|++++|+.+|+++++++|+\nT Consensus 173 ~~~~~A~-~~~~~ai~~~p~~~~~~~~lg~~~~~~g~~~~A~~~~~kal~l~P~ 225 (243)\nT 2q7f_A 173 GMLDEAL-SQFAAVTEQDPGHADAFYNAGVTYAYKENREKALEMLDKAIDIQPD 225 (243)\nT ss_dssp TCCHHHH-HHHHHHHHHCTTCHHHHHHHHHHHHHTTCTTHHHHHHHHHHHHCTT\nT ss_pred ccHHHHH-HHHHHHHHHCCCCHHHHHHHHHHHHHcCCHHHHHHHHHHHHHhCCC'</div><div><br></div><div>******************* ERROR ENDING ***************</div><div><br></div><div>Can you help</div><div><br></div><div>Best regards</div><div><br></div><div>Nora</div><div><br></div><div>On 19 Apr 2011, at 16:25, Thomas C. Terwilliger wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Hi Nora,<br><br>AutoSol will only take a single "crystal_info", and assumes that all data<br>that you give it is referring to a single crystal form, with<br>(approximately) the same cell dimensions for all datasets.<br><br>If you have multiple crystal forms, or crystals with substantially (more<br>than about 1-2 percent) different cells, then you will want to solve them<br>separately. You can then combine information with<br>phenix.multi_crystal_average if you want.<br><br>Let me know if that doesn't help with your two questions!<br>All the best,<br><br>-Tom T<br><br><blockquote type="cite"><blockquote type="cite">Whilst I can input SAD SAD data ie two different SAD datasets using<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Group =1 and Group =2 with the "Wavelength" keyword, how do I input 2<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">different crystals using the "crystal_info" keyword which does not<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">recognize Group =<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Inputting .sca unmerged anomalous data how do I input data for 2 different<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">crystal_info keywords with different heavy atoms and different unit cells?<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">thanks<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Nora<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Dr N B Cronin<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">X-Ray Laboratory Manager Tel. (+44) 020 7153 5445<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Section of Structural Biology Fax. (+44) 020 7153 5457<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Chester Beatty Laboratories<span class="Apple-tab-span" style="white-space:pre"> </span><span class="Apple-tab-span" style="white-space:pre"> </span>mobile: (+44) 07787554059<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">The Institute of Cancer Research<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">237 Fulham Road<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">London<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">SW3 6JB<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">The Institute of Cancer Research: Royal Cancer Hospital, a charitable<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Company Limited by Guarantee, Registered in England under Company No.<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">534147 with its Registered Office at 123 Old Brompton Road, London SW7<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">3RP.<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">This e-mail message is confidential and for use by the addressee only. If<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">the message is received by anyone other than the addressee, please return<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">the message to the sender by replying to it and then delete the message<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">from your computer and<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">network._______________________________________________<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">phenixbb mailing list<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><a href="http://phenix-online.org/mailman/listinfo/phenixbb">http://phenix-online.org/mailman/listinfo/phenixbb</a><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><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>
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; 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; font-size: medium; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div><span class="Apple-style-span" style="font-size: 12px; ">Dr N B Cronin</span></div><div><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><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-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 style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><span class="Apple-style-span" style="font-size: 12px; ">X-Ray Laboratory Manager Tel. (+44) 020 7153 5445</span></div><div><span class="Apple-style-span" style="font-size: 12px; ">Section of Structural Biology Fax. (+44) 020 7153 5457</span></div><div><span class="Apple-style-span" style="font-size: 12px; ">Chester Beatty Laboratories<span class="Apple-tab-span" style="white-space: pre; "> </span>mobile: (+44) 07787554059</span></div><div><span class="Apple-style-span" style="font-size: 12px; ">The Institute of Cancer Research </span></div><div><span class="Apple-style-span" style="font-size: 12px; "><a href="mailto:Mark.Roe@icr.ac.uk"></a>237 Fulham Road </span></div><div><span class="Apple-style-span" style="font-size: 12px; "><a href="http://www.icr.ac.uk/structbi"></a>London</span></div><div><span class="Apple-style-span" style="font-size: 12px; ">SW3 6JB</span></div><div><span class="Apple-style-span" style="font-size: 12px; "><br></span></div></div></span></div></div></div><div><br></div></div></span><br class="Apple-interchange-newline"></div><br class="Apple-interchange-newline"><br class="Apple-interchange-newline">
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