Isnt this what you want? output of CCP4I2 fitting buccaneer to the other..
On Fri, 16 Feb 2024 at 09:46, zx2...@connect.hku.hk <zx2...@connect.hku.hk> wrote: > Dear all, > > Following the advice provided by Paul and Yi Min, the "*Symm Shift > Reference Chain Here*" function has proven successful! > > I am deeply grateful for your guidance. > > Best regards, > Xin > ------------------------------ > *From:* zx2...@connect.hku.hk <zx2...@connect.hku.hk> > *Sent:* 16 February 2024 17:26 > *To:* Paul Emsley <pems...@mrc-lmb.cam.ac.uk> > *Subject:* Re: [ccp4bb] Coot SSM Superpose Problem > > Dear Paul, > > I apologize for the confusion in my previous description. To clarify, > there are actually 4 copies within a single ASU. > > Following your suggestion, I tried the "Symm Shift Reference Chain Here" , > and it worked successfully. I greatly appreciate your assistance. > > Thank you so much! > > Best regards, > Xin > ------------------------------ > *From:* Paul Emsley <pems...@mrc-lmb.cam.ac.uk> > *Sent:* 16 February 2024 11:06 > *To:* zx2...@connect.hku.hk <zx2...@connect.hku.hk>; CCP4BB@JISCMAIL.AC.UK > <CCP4BB@JISCMAIL.AC.UK> > *Subject:* Re: [ccp4bb] Coot SSM Superpose Problem > > > > On 16/02/2024 01:45, zx2...@connect.hku.hk wrote: > > Dear all, > > Hello Xin, > > > I encountered an issue while attempting to calculate the RMSD between two > PDB files (each containing 4 ASUs) > > do they really though? > > > using the SSM Superpose tool in Coot. Unfortunately, the tool was unable > to superpose all ASUs accurately. > > > That's because you have mismatched bundles. It seem to me that you need > some "Symm Shift Reference Chain Here" action. > > > Paul. > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN--> <html> <!-- CCP4 HTML LOGFILE --> <hr> <pre> ############################################################### ############################################################### ############################################################### ### CCP4 8.0.017: csymmatch version 0.3 : 13/07/09## ############################################################### User: eleanor Run date: 16/ 2/2024 Run time: 10:43:46 Please reference: Collaborative Computational Project, Number 4. 2011. "Overview of the CCP4 suite and current developments". Acta Cryst. D67, 235-242. as well as any specific reference in the program write-up. <!--SUMMARY_END--></FONT></B> pdbin /Users/eleanor/CCP4I2_PROJECTS/jim-24948v162/CCP4_JOBS/job_308/XYZIN_QUERY-coordinates.pdb pdbin-ref /Users/eleanor/CCP4I2_PROJECTS/jim-24948v162/CCP4_JOBS/job_308/XYZIN_TARGET-coordinates.pdb origin-hand pdbout /Users/eleanor/CCP4I2_PROJECTS/jim-24948v162/CCP4_JOBS/job_309/309_jim-24948v162_xyzout_csymmatch.pdb Reference molecule: Spacegroup: P 1 21 1 Unit cell: Cell (52.932,160.535,95.563, 90, 95.91, 90) Moving molecule: Spacegroup: P 1 21 1 Unit cell: Cell ( 52.96,160.61, 95.61, 90, 95.92, 90) Change of hand : NO Change of origin: uvw = ( 0.5, 0.25, 0) Chain: C 1- 43 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.557587 Chain: C 45- 100 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.498482 Chain: C 102- 363 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.610847 Chain: A 5- 44 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.593516 Chain: A 48- 96 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.55637 Chain: A 100- 361 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.622536 Chain: D 1- 43 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.615694 Chain: D 45- 46 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.276082 Chain: D 48- 94 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.540653 Chain: D 102- 360 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.614962 Chain: B 2- 42 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.619177 Chain: B 46- 102 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.507692 Chain: B 104- 361 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.638448 Chain: E 1- 8 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.759516 Chain: F 360- 367 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.753656 Chain: G 1- 8 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.202106 Chain: H 1- 8 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.438077 Chain: I 1- 6 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.632237 Chain: J 1- 6 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.407098 Chain: L 1- 1 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.782128 Chain: L 2- 2 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, -1) with normalised score: 0.384611 Chain: L 3- 3 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.771999 Chain: L 4- 4 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.766068 Chain: L 5- 5 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.715627 Chain: L 6- 6 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.591994 Chain: L 7- 7 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.780596 Chain: L 8- 8 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.711087 Chain: L 9- 9 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.744378 Chain: L 10- 10 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.701632 Chain: L 11- 11 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.763864 Chain: L 12- 12 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.835502 Chain: L 13- 13 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.580382 Chain: L 14- 14 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.821776 Chain: L 15- 15 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.719768 Chain: L 16- 16 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.322759 Chain: L 17- 17 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 0, -1, 0) with normalised score: 0.418458 Chain: L 18- 18 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.528726 Chain: L 19- 19 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.730649 Chain: L 20- 20 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.777931 Chain: L 21- 21 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.57275 Chain: L 22- 22 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.821079 Chain: L 23- 23 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.465445 Chain: L 24- 24 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.701893 Chain: L 25- 25 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.835846 Chain: L 26- 26 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.55446 Chain: L 27- 27 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.726404 Chain: L 28- 28 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.724864 Chain: L 29- 29 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.590473 Chain: L 30- 30 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.71685 Chain: L 31- 31 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.506807 Chain: L 32- 32 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.505556 Chain: L 33- 33 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.478156 Chain: L 34- 34 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.44943 Chain: L 35- 35 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.721943 Chain: L 36- 36 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.725873 Chain: L 37- 37 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.495271 Chain: L 38- 38 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.573413 Chain: L 39- 39 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.470251 Chain: L 40- 40 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.636343 Chain: L 41- 41 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.731407 Chain: L 42- 42 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.649157 Chain: L 43- 43 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.399531 Chain: L 44- 44 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.362497 Chain: L 45- 45 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.852771 Chain: L 46- 46 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.386999 Chain: L 47- 47 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.609145 Chain: L 48- 48 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.707609 Chain: L 49- 49 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.498274 Chain: L 50- 50 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.568557 Chain: L 51- 51 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.691311 Chain: L 52- 52 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.501477 Chain: L 53- 53 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.662775 Chain: L 54- 54 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.838861 Chain: L 55- 55 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.382714 Chain: L 56- 56 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.385971 Chain: L 57- 57 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.68064 Chain: L 58- 58 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.778246 Chain: L 59- 59 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.479353 Chain: L 60- 60 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.487701 Chain: L 61- 61 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.774518 Chain: L 62- 62 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.546757 Chain: L 63- 63 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.363495 Chain: L 64- 64 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.33868 Chain: L 65- 65 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.501201 Chain: L 66- 66 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.343099 Chain: L 67- 67 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.625904 Chain: L 68- 68 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.65124 Chain: L 69- 69 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.443809 Chain: L 70- 70 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.411672 Chain: L 71- 71 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.496528 Chain: L 72- 72 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( -1, 0, 0) with normalised score: 0.379637 Chain: L 73- 73 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.825448 Chain: L 74- 74 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 1, 0, -1) with normalised score: 0.33753 Chain: L 75- 75 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.497614 Chain: L 76- 76 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.851743 Chain: L 77- 77 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.337789 Chain: L 78- 78 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.556331 Chain: L 79- 79 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.597207 Chain: L 80- 80 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.563756 Chain: L 81- 81 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.837703 Chain: L 82- 82 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.579038 Chain: L 83- 83 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.560467 Chain: L 84- 84 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.766576 Chain: L 85- 85 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.553072 Chain: L 86- 86 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.641124 Chain: L 87- 87 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.500148 Chain: L 88- 88 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.540575 Chain: L 89- 89 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.523189 Chain: L 90- 90 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.818994 Chain: L 91- 91 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.620551 Chain: L 92- 92 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.478283 Chain: L 93- 93 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.728803 Chain: L 94- 94 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.42145 Chain: L 95- 95 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.574998 Chain: L 96- 96 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.496456 Chain: L 97- 97 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.715236 Chain: L 98- 98 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.664791 Chain: L 99- 99 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.588504 Chain: L 100- 100 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.709581 Chain: L 101- 101 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.859134 Chain: L 102- 102 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.430853 Chain: L 103- 103 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.6449 Chain: L 104- 104 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.436648 Chain: L 105- 105 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.45416 Chain: L 106- 106 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.485157 Chain: L 107- 107 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.67641 Chain: L 108- 108 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.656899 Chain: L 109- 109 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 1, 0, 0) with normalised score: 0.205025 Chain: L 110- 110 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.283604 Chain: L 111- 111 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.507059 Chain: L 112- 112 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.793872 Chain: L 113- 113 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.666432 Chain: L 114- 114 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.60365 Chain: L 115- 115 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.800831 Chain: L 116- 116 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.79975 Chain: L 117- 117 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.445121 Chain: L 118- 118 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.566954 Chain: L 119- 119 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.611271 Chain: L 120- 120 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.447039 Chain: L 121- 121 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.84432 Chain: L 122- 122 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.60233 Chain: L 123- 123 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.368103 Chain: L 124- 124 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.536929 Chain: L 125- 125 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.413672 Chain: L 126- 126 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.609501 Chain: L 127- 127 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.245408 Chain: L 128- 128 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.724426 Chain: L 129- 129 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.429886 Chain: L 130- 130 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.693406 Chain: L 131- 131 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.52273 Chain: L 132- 132 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.663441 Chain: L 133- 133 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.696932 Chain: L 134- 134 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.497185 Chain: L 135- 135 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.541815 Chain: L 136- 136 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.696109 Chain: L 137- 137 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.654347 Chain: L 138- 138 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.592121 Chain: L 139- 139 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.724933 Chain: L 140- 140 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.530026 Chain: L 141- 141 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.479983 Chain: L 142- 142 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.647749 Chain: L 143- 143 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.220072 Chain: L 144- 144 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.496101 Chain: L 145- 145 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.663676 Chain: L 146- 146 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.821545 Chain: L 147- 147 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.834725 Chain: L 148- 148 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.765424 Chain: L 149- 149 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.826932 Chain: L 150- 150 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.773606 Chain: L 151- 151 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.655666 Chain: L 152- 152 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.233515 Chain: L 153- 153 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.665117 Chain: L 154- 154 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.670883 Chain: L 155- 155 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.759722 Chain: L 156- 156 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.639435 Chain: L 157- 157 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.690448 Chain: L 158- 158 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.450981 Chain: L 159- 159 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.353448 Chain: L 160- 160 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.667576 Chain: L 161- 161 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.488694 Chain: L 162- 162 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.44074 Chain: L 163- 163 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.474649 Chain: L 164- 164 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.749475 Chain: L 165- 165 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.316528 Chain: L 166- 166 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.378854 Chain: L 167- 167 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.732864 Chain: L 168- 168 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 0, -1, 0) with normalised score: 0.411873 Chain: L 169- 169 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.675992 Chain: L 170- 170 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.457703 Chain: L 171- 171 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.461077 Chain: L 172- 172 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( -1, 0, 0) with normalised score: 0.32469 Chain: L 173- 173 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.42368 Chain: L 174- 174 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 0, -1, 0) with normalised score: 0.303916 Chain: L 175- 175 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.56116 Chain: L 176- 176 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.685601 Chain: L 177- 177 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.572831 Chain: L 178- 178 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.480705 Chain: L 179- 179 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.337867 Chain: L 180- 180 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.210839 Chain: L 181- 181 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.643315 Chain: L 182- 182 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.567569 Chain: L 183- 183 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.708978 Chain: L 184- 184 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.374989 Chain: L 185- 185 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.388557 Chain: L 186- 186 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 0, -1, 0) with normalised score: 0.523659 Chain: L 187- 187 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.527492 Chain: L 188- 188 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.216813 Chain: L 189- 189 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.709358 Chain: L 190- 190 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.619056 Chain: L 191- 191 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.353983 Chain: L 192- 192 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.637119 Chain: L 193- 193 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.488766 Chain: L 194- 194 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.362182 Chain: L 195- 195 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.323757 Chain: L 196- 196 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.758127 Chain: L 197- 197 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.514389 Chain: L 198- 198 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.627229 Chain: L 199- 199 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.461928 Chain: L 200- 200 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.680535 Chain: L 201- 201 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.612355 Chain: L 202- 202 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.676955 Chain: L 203- 203 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.808216 Chain: L 204- 204 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.806639 Chain: L 205- 205 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.483138 Chain: L 206- 206 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.777873 Chain: L 207- 207 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.397656 Chain: L 208- 208 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.526151 Chain: L 209- 209 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.62321 Chain: L 210- 210 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.35953 Chain: L 211- 211 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.768192 Chain: L 212- 212 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.739598 Chain: L 213- 213 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.614285 Chain: L 214- 214 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.334406 Chain: L 215- 215 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.486681 Chain: L 216- 216 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.388585 Chain: L 217- 217 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.481877 Chain: L 218- 218 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.494604 Chain: L 219- 219 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.459184 Chain: L 220- 220 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.375589 Chain: L 221- 221 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.435404 Chain: L 222- 222 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.571299 Chain: L 223- 223 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.691931 Chain: L 224- 224 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.41763 Chain: L 225- 225 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.464977 Chain: L 226- 226 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.839094 Chain: L 227- 227 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.778383 Chain: L 228- 228 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.553245 Chain: L 229- 229 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.773074 Chain: L 230- 230 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.516912 Chain: L 231- 231 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.431011 Chain: L 232- 232 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 0, -1, 0) with normalised score: 0.44419 Chain: L 233- 233 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.270347 Chain: L 234- 234 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.359823 Chain: L 235- 235 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.527722 Chain: L 236- 236 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 0, -1, 0) with normalised score: 0.285097 Chain: L 237- 237 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.587557 Chain: L 238- 238 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.536151 Chain: L 239- 239 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.604192 Chain: L 240- 240 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( -1, 0, -1) with normalised score: 0.28643 Chain: L 241- 241 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.339357 Chain: L 242- 242 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.512634 Chain: L 243- 243 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.318382 Chain: L 244- 244 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.661778 Chain: L 245- 245 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.480879 Chain: L 246- 246 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.658248 Chain: L 247- 247 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.426154 Chain: L 248- 248 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.40895 Chain: L 249- 249 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.517825 Chain: L 250- 250 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.396343 Chain: L 251- 251 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.807421 Chain: L 252- 252 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.300408 Chain: L 253- 253 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.406789 Chain: L 254- 254 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.429304 Chain: L 255- 255 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.735572 Chain: L 256- 256 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.395308 Chain: L 257- 257 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.612617 Chain: L 258- 258 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.556416 Chain: L 259- 259 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.7493 Chain: L 260- 260 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.47484 Chain: L 261- 261 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.48299 Chain: L 262- 262 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.656576 Chain: L 263- 263 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.66953 Chain: L 264- 264 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.438525 Chain: L 265- 265 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.694177 Chain: L 266- 266 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.368337 Chain: L 267- 267 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.483253 Chain: L 268- 268 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.571325 Chain: L 269- 269 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.300414 Chain: L 270- 270 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.204248 Chain: L 271- 271 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.32552 Chain: L 272- 272 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.731069 Chain: L 273- 273 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.614164 Chain: L 274- 274 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.316809 Chain: L 275- 275 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.446022 Chain: L 276- 276 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.164386 Chain: L 277- 277 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.348332 Chain: L 278- 278 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.407583 Chain: L 279- 279 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.357925 Chain: L 280- 280 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.736763 Chain: L 281- 281 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.627786 Chain: L 282- 282 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.631742 Chain: L 283- 283 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.689591 Chain: L 284- 284 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.733189 Chain: L 285- 285 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.668503 Chain: L 286- 286 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.654303 Chain: L 287- 287 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.745491 Chain: L 288- 288 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.460667 Chain: L 289- 289 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.624879 Chain: L 290- 290 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.592932 Chain: L 291- 291 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.272247 Chain: L 292- 292 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.420641 Chain: L 293- 293 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.524163 Chain: L 294- 294 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.416726 Chain: L 295- 295 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.44026 Chain: L 296- 296 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.490742 Chain: L 297- 297 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.364832 Chain: L 298- 298 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.503116 Chain: L 299- 299 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.331456 Chain: L 300- 300 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.471923 Chain: L 301- 301 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.685712 Chain: L 302- 302 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.520251 Chain: L 303- 303 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.369784 Chain: L 304- 304 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.518324 Chain: L 305- 305 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.191044 Chain: L 306- 306 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.581928 Chain: L 307- 307 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.431189 Chain: L 308- 308 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.225426 Chain: L 309- 309 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.7878 Chain: L 310- 310 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.350809 Chain: L 311- 311 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, 0) with normalised score: 0.675278 Chain: L 312- 312 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.680267 Chain: L 313- 313 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.454139 Chain: L 314- 314 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.460308 Chain: L 315- 315 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.577772 Chain: L 316- 316 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.639737 Chain: L 317- 317 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.809188 Chain: L 318- 318 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.660296 Chain: L 319- 319 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.624475 Chain: L 320- 320 will be transformed as follows: Symmetry operator: x, y, z Lattice shift: uvw = ( 0, 0, -1) with normalised score: 0.622115 Chain: L 321- 321 will be transformed as follows: Symmetry operator: -x, y+1/2, -z Lattice shift: uvw = ( 1, -1, 0) with normalised score: 0.649692 <B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN--> csymmatch: Times: User: 0.6s System: 0.0s Elapsed: 0:00 </pre> </html> <!--SUMMARY_END--></FONT></B> JOB TITLE SECTION (PROCESSMANAGER) MATCH MODEL ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
