Re: [Apbs-users] ObjectMapLoadDXFile-Error
Biomolecular electrostatics software
Brought to you by:
sobolevnrm
Menu
▾
▴
Re: [Apbs-users] ObjectMapLoadDXFile-Error
|
From: Andrew Purkiss-T. <a.p...@ma...> - 2009-05-06 14:17:08
|
On Wed, 2009-05-06 at 08:56 -0500, David Gohara wrote: > Yes. If you are an early Intel Mac (Core Duo) that binary won't work. > Good point. But any Intel Mac with a Core 2 Duo or higher will work. > PPC Macs will work with the PPC binary. > > point of clarification. Mac OS is Mac OS. 32bit vs. 64bit binary > compatability is dictated by the CPU not OS on Mac OS X. > Actually, I'd disagree on this last point. The kernel and system sections of OS-X version 10.5 (Leopard) are still 32 bit, but it allows 64 bit apps (including X11) to run. The new version 10.6 (snow leopard) will be the first version of the OS with a 64bit kernel. The universal binary format for apps is supposed to contain both 32 and 64 bit versions of a program, with the OS loading the relevant one at run time, depending on the processor's capability. > Thanks, > > Dave > > David W. Gohara > Washington University > School of Medicine > http://gohara.wustl.edu > http://macresearch.org > (314) 362 - 1583 (office) > (617) 216 - 8616 (cel) > > > On May 6, 2009, at 8:14 AM, Andrew Purkiss-Trew <a.p...@ma... > > wrote: > > > Dear All > > > > Having helped a colleague with this yesterday, I think that the > > problem > > is that the OSX binary on the website (for intel at least) is a 64 bit > > one, but most MACs still have a 32bit OS. We had to compile from > > source, > > rather than using the binary package. > > > > Hope this is of interest > > > > Andrew Purkiss-Trew > > > > On Wed, 2009-05-06 at 07:21 -0500, David Gohara wrote: > >> Hi Kurtis, > >> > >> Did you compile the binary or download it from the website? If you > >> downloaded it, it sounds like you downloaded the wrong the one. For > >> Mac there is one for PowerPC and one for Intel based Macs. What kind > >> of Mac do you have? > >> > >> Thanks, > >> > >> Dave > >> > >> On Tue, May 5, 2009 at 1:19 PM, Anderson, Kurtis > >> <kua...@ut...> wrote: > >>> Thanks for the help all. So I've looked at your comments, and I > >>> think the problem is in APBS installation. For the record, I > >>> simply followed the installation guide for the Intel-dmg for Mac > >>> OS X. > >>> > >>> ====================================== > >>> Running APBS from command line: > >>> ====================================== > >>> > >>> [localhost:~/APBS/test2] djroue% apbs 1fas.in > >>> csh: /Applications/apbs-1.1.0/bin/apbs: Bad CPU type in executable. > >>> > >>> > >>> > >>> ====================================== > >>> Running APBS locally through VMD > >>> ====================================== > >>> vmd > RCNE SendEventToEventTarget (suom Moved ) > >>> failed, -50 > >>> Info) Using plugin pqr for structure file /Users/djroue/APBS/ > >>> test2/1fas.pqr > >>> Info) Using plugin pqr for coordinates from file /Users/djroue/ > >>> APBS/test2/1fas.pqr > >>> Info) Determining bond structure from distance search ... > >>> Info) Analyzing structure ... > >>> Info) Atoms: 913 > >>> Info) Bonds: 939 > >>> Info) Residues: 61 > >>> Info) Waters: 0 > >>> Info) Segments: 1 > >>> Info) Fragments: 1 Protein: 1 Nucleic: 0 > >>> Info) Finished with coordinate file /Users/djroue/APBS/ > >>> test2/1fas.pqr. > >>> RCNE SendEventToEventTarget (suom Moved ) failed, -50 > >>> RCNE SendEventToEventTarget (suom Moved ) failed, -50 > >>> apbsrun) Running job mode=normal > >>> apbsrun) dir is /tmp/apbs.6945 > >>> apbsrun) using VMD radii > >>> apbsrun) using pqrplugin for /tmp/apbs.6945/1fas.pqr > >>> Info) Opened coordinate file /tmp/apbs.6945/1fas.pqr for writing. > >>> apbsrun: error running /Applications/apbs-1.1.0/bin/apbs > >>> apbsrun) Warning: possible problem while running APBS: > >>> can't read "apbs_fd": no such variable > >>> apbsrun) Cannot access output file /tmp/apbs.6945/pot.dx > >>> apbsrun) Output files pot > >>> Info) Finished with coordinate file /tmp/apbs.6945/1fas.pqr. > >>> > >>> > >>> ====================================== > >>> Entire PQR file (1fas.pqr) > >>> ====================================== > >>> REMARK 1 PQR file generated by PDB2PQR (Version 1.4.0) > >>> REMARK 1 > >>> REMARK 1 Forcefield Used: parse > >>> REMARK 1 Naming Scheme Used: parse > >>> REMARK 1 > >>> REMARK 5 > >>> REMARK 6 Total charge on this protein: 4.0000 e > >>> REMARK 6 > >>> ATOM 1 N THR 1 46.148 16.581 2.104 -0.3200 > >>> 2.0000 > >>> ATOM 2 CA THR 1 44.862 15.936 2.105 0.3300 > >>> 2.0000 > >>> ATOM 3 C THR 1 43.983 16.642 1.087 0.5500 > >>> 1.7000 > >>> ATOM 4 O THR 1 44.150 17.855 0.925 -0.5500 > >>> 1.4000 > >>> ATOM 5 CB THR 1 44.293 16.088 3.528 0.0000 > >>> 2.0000 > >>> ATOM 6 OG1 THR 1 45.409 15.915 4.403 -0.4900 > >>> 1.4000 > >>> ATOM 7 CG2 THR 1 43.175 15.110 3.826 0.0000 > >>> 2.0000 > >>> ATOM 8 HG22 THR 1 43.156 14.387 3.129 0.0000 > >>> 0.0000 > >>> ATOM 9 H2 THR 1 46.672 16.314 1.287 0.3300 > >>> 0.0000 > >>> ATOM 10 H3 THR 1 46.037 17.581 2.102 0.3300 > >>> 0.0000 > >>> ATOM 11 HB THR 1 43.940 17.022 3.639 0.0000 > >>> 0.0000 > >>> ATOM 12 H1 THR 1 46.671 16.318 2.922 0.3300 > >>> 0.0000 > >>> ATOM 13 HG21 THR 1 43.317 14.690 4.727 0.0000 > >>> 0.0000 > >>> ATOM 14 HG23 THR 1 42.291 15.587 3.825 0.0000 > >>> 0.0000 > >>> ATOM 15 HA THR 1 44.971 14.986 1.819 0.0000 > >>> 0.0000 > >>> ATOM 16 HG1 THR 1 45.246 15.149 5.034 0.4900 > >>> 1.0000 > >>> ATOM 17 N MET 2 43.095 15.880 0.429 -0.4000 > >>> 1.5000 > >>> ATOM 18 CA MET 2 42.043 16.449 -0.402 -0.0000 > >>> 2.0000 > >>> ATOM 19 C MET 2 40.905 16.678 0.608 0.5500 > >>> 1.7000 > >>> ATOM 20 O MET 2 40.580 15.751 1.373 -0.5500 > >>> 1.4000 > >>> ATOM 21 CB MET 2 41.482 15.465 -1.413 0.0000 > >>> 2.0000 > >>> ATOM 22 CG MET 2 42.439 14.993 -2.493 0.2650 > >>> 2.0000 > >>> ATOM 23 SD MET 2 42.845 16.400 -3.552 -0.5300 > >>> 1.8500 > >>> ATOM 24 CE MET 2 41.289 17.057 -4.054 0.2650 > >>> 2.0000 > >>> ATOM 25 HG2 MET 2 43.268 14.622 -2.061 0.0000 > >>> 0.0000 > >>> ATOM 26 HE1 MET 2 41.309 17.298 -5.030 0.0000 > >>> 0.0000 > >>> ATOM 27 HE2 MET 2 40.559 16.381 -3.907 0.0000 > >>> 0.0000 > >>> ATOM 28 HE3 MET 2 41.071 17.884 -3.524 0.0000 > >>> 0.0000 > >>> ATOM 29 HB2 MET 2 41.135 14.643 -0.918 0.0000 > >>> 0.0000 > >>> ATOM 30 HG1 MET 2 42.002 14.261 -3.026 0.0000 > >>> 0.0000 > >>> ATOM 31 HN MET 2 43.228 14.856 0.568 0.4000 > >>> 1.0000 > >>> ATOM 32 HA MET 2 42.333 17.321 -0.726 0.0000 > >>> 0.0000 > >>> ATOM 33 HB1 MET 2 40.673 15.886 -1.870 0.0000 > >>> 0.0000 > >>> ATOM 34 N CSS 3 40.248 17.802 0.586 -0.4000 > >>> 1.5000 > >>> ATOM 35 CA CSS 3 39.209 18.135 1.542 -0.0000 > >>> 2.0000 > >>> ATOM 36 C CSS 3 37.962 18.602 0.826 0.5500 > >>> 1.7000 > >>> ATOM 37 O CSS 3 38.007 19.100 -0.321 -0.5500 > >>> 1.4000 > >>> ATOM 38 CB CSS 3 39.687 19.276 2.433 0.2900 > >>> 2.0000 > >>> ATOM 39 SG CSS 3 41.285 18.930 3.230 -0.2900 > >>> 1.8500 > >>> ATOM 40 HB1 CSS 3 39.014 19.422 3.147 0.0000 > >>> 0.0000 > >>> ATOM 41 HN CSS 3 40.531 18.460 -0.188 0.4000 > >>> 1.0000 > >>> ATOM 42 HA CSS 3 38.981 17.305 2.064 0.0000 > >>> 0.0000 > >>> ATOM 43 HB2 CSS 3 39.792 20.089 1.876 0.0000 > >>> 0.0000 > >>> ATOM 44 N TYR 4 36.814 18.454 1.482 -0.4000 > >>> 1.5000 > >>> ATOM 45 CA TYR 4 35.591 19.079 0.970 -0.0000 > >>> 2.0000 > >>> ATOM 46 C TYR 4 35.756 20.586 1.188 0.5500 > >>> 1.7000 > >>> ATOM 47 O TYR 4 36.446 21.024 2.114 -0.5500 > >>> 1.4000 > >>> ATOM 48 CB TYR 4 34.373 18.592 1.741 0.1250 > >>> 2.0000 > >>> ATOM 49 CG TYR 4 33.893 17.219 1.276 -0.1250 > >>> 1.7000 > >>> ATOM 50 CD1 TYR 4 33.331 17.067 0.025 -0.1250 > >>> 1.7000 > >>> ATOM 51 CD2 TYR 4 34.012 16.153 2.144 -0.1250 > >>> 1.7000 > >>> ATOM 52 CE1 TYR 4 32.895 15.803 -0.341 -0.1250 > >>> 1.7000 > >>> ATOM 53 CE2 TYR 4 33.566 14.909 1.785 -0.1250 > >>> 1.7000 > >>> ATOM 54 CZ TYR 4 33.012 14.742 0.547 0.0550 > >>> 1.7000 > >>> ATOM 55 OH TYR 4 32.540 13.498 0.200 -0.4900 > >>> 1.4000 > >>> ATOM 56 HA TYR 4 35.535 18.912 -0.002 0.0000 > >>> 0.0000 > >>> ATOM 57 HE1 TYR 4 32.495 15.652 -1.250 0.1250 > >>> 1.0000 > >>> ATOM 58 HE2 TYR 4 33.644 14.138 2.416 0.1250 > >>> 1.0000 > >>> ATOM 59 HN TYR 4 36.857 17.891 2.338 0.4000 > >>> 1.0000 > >>> ATOM 60 HD2 TYR 4 34.429 16.293 3.042 0.1250 > >>> 1.0000 > >>> ATOM 61 HD1 TYR 4 33.239 17.826 -0.591 0.1250 > >>> 1.0000 > >>> ATOM 62 HB1 TYR 4 33.630 19.234 1.605 0.0000 > >>> 0.0000 > >>> ATOM 63 HB2 TYR 4 34.609 18.522 2.701 0.0000 > >>> 0.0000 > >>> ATOM 64 HH TYR 4 31.685 13.601 -0.305 0.4350 > >>> 1.0000 > >>> ATOM 65 N SER 5 35.183 21.415 0.351 -0.4000 > >>> 1.5000 > >>> ATOM 66 CA SER 5 35.369 22.844 0.489 -0.0000 > >>> 2.0000 > >>> ATOM 67 C SER 5 34.055 23.585 0.623 0.5500 > >>> 1.7000 > >>> ATOM 68 O SER 5 34.078 24.809 0.496 -0.5500 > >>> 1.4000 > >>> ATOM 69 CB SER 5 36.143 23.279 -0.759 0.0000 > >>> 2.0000 > >>> ATOM 70 OG SER 5 35.456 23.027 -1.989 -0.4900 > >>> 1.4000 > >>> ATOM 71 HN SER 5 34.607 20.978 -0.390 0.4000 > >>> 1.0000 > >>> ATOM 72 HA SER 5 35.908 23.012 1.332 0.0000 > >>> 0.0000 > >>> ATOM 73 HB1 SER 5 37.022 22.789 -0.782 0.0000 > >>> 0.0000 > >>> ATOM 74 HB2 SER 5 36.330 24.266 -0.697 0.0000 > >>> 0.0000 > >>> ATOM 75 HG SER 5 34.736 23.706 -2.105 0.4900 > >>> 1.0000 > >>> ATOM 76 N HID 6 32.889 22.953 0.735 -0.4000 > >>> 1.5000 > >>> ATOM 77 CA HID 6 31.659 23.744 0.748 -0.0000 > >>> 2.0000 > >>> ATOM 78 C HID 6 30.798 23.343 1.936 0.5500 > >>> 1.7000 > >>> ATOM 79 O HID 6 31.194 22.404 2.625 -0.5500 > >>> 1.4000 > >>> ATOM 80 CB HID 6 30.933 23.526 -0.586 0.1250 > >>> 2.0000 > >>> ATOM 81 CG HID 6 31.716 24.056 -1.802 -0.1250 > >>> 1.7000 > >>> ATOM 82 HN HID 6 32.929 21.939 0.806 0.4000 > >>> 1.0000 > >>> ATOM 83 HA HID 6 31.905 24.711 0.847 0.0000 > >>> 0.0000 > >>> ATOM 84 HB1 HID 6 30.053 24.000 -0.570 0.0000 > >>> 0.0000 > >>> ATOM 85 HB2 HID 6 30.783 22.548 -0.731 0.0000 > >>> 0.0000 > >>> ATOM 86 CD2 HID 6 31.452 25.269 -2.402 0.1550 > >>> 1.7000 > >>> ATOM 87 HD1 HID 6 33.206 22.647 -2.267 0.4000 > >>> 1.0000 > >>> ATOM 88 HE1 HID 6 33.895 24.234 -4.040 0.1250 > >>> 1.0000 > >>> ATOM 89 CE1 HID 6 33.138 24.368 -3.404 0.1550 > >>> 1.7000 > >>> ATOM 90 ND1 HID 6 32.770 23.528 -2.458 -0.4000 > >>> 1.5000 > >>> ATOM 91 NE2 HID 6 32.340 25.409 -3.364 -0.5600 > >>> 1.5000 > >>> ATOM 92 HD2 HID 6 30.719 25.889 -2.126 0.1250 > >>> 1.0000 > >>> ATOM 93 N THR 7 29.679 24.025 2.229 -0.4000 > >>> 1.5000 > >>> ATOM 94 CA THR 7 28.828 23.658 3.344 -0.0000 > >>> 2.0000 > >>> ATOM 95 C THR 7 27.969 22.462 2.973 0.5500 > >>> 1.7000 > >>> ATOM 96 O THR 7 27.379 21.849 3.867 -0.5500 > >>> 1.4000 > >>> ATOM 97 CB THR 7 27.952 24.834 3.723 0.0000 > >>> 2.0000 > >>> ATOM 98 OG1 THR 7 27.357 25.295 2.510 -0.4900 > >>> 1.4000 > >>> ATOM 99 CG2 THR 7 28.734 25.939 4.402 0.0000 > >>> 2.0000 > >>> ATOM 100 HA THR 7 29.409 23.401 4.123 0.0000 > >>> 0.0000 > >>> ATOM 101 HG22 THR 7 29.174 26.522 3.713 0.0000 > >>> 0.0000 > >>> ATOM 102 HG21 THR 7 28.118 26.503 4.960 0.0000 > >>> 0.0000 > >>> ATOM 103 HN THR 7 29.488 24.824 1.592 0.4000 > >>> 1.0000 > >>> ATOM 104 HB THR 7 27.214 24.520 4.338 0.0000 > >>> 0.0000 > >>> ATOM 105 HG23 THR 7 29.442 25.545 4.995 0.0000 > >>> 0.0000 > >>> ATOM 106 HG1 THR 7 26.489 24.815 2.338 0.4900 > >>> 1.0000 > >>> ATOM 107 N THR 8 27.815 22.152 1.675 -0.4000 > >>> 1.5000 > >>> ATOM 108 CA THR 8 27.185 20.909 1.295 -0.0000 > >>> 2.0000 > >>> ATOM 109 C THR 8 28.267 20.039 0.634 0.5500 > >>> 1.7000 > >>> ATOM 110 O THR 8 29.258 20.563 0.089 -0.5500 > >>> 1.4000 > >>> ATOM 111 CB THR 8 26.016 21.201 0.330 0.0000 > >>> 2.0000 > >>> ATOM 112 OG1 THR 8 26.555 21.884 -0.792 -0.4900 > >>> 1.4000 > >>> ATOM 113 CG2 THR 8 24.903 22.004 1.003 0.0000 > >>> 2.0000 > >>> ATOM 114 HA THR 8 26.869 20.437 2.109 0.0000 > >>> 0.0000 > >>> ATOM 115 HG22 THR 8 24.901 21.818 1.987 0.0000 > >>> 0.0000 > >>> ATOM 116 HG21 THR 8 25.055 22.983 0.851 0.0000 > >>> 0.0000 > >>> ATOM 117 HN THR 8 28.174 22.856 1.016 0.4000 > >>> 1.0000 > >>> ATOM 118 HB THR 8 25.627 20.320 0.019 0.0000 > >>> 0.0000 > >>> ATOM 119 HG23 THR 8 24.017 21.742 0.615 0.0000 > >>> 0.0000 > >>> ATOM 120 HG1 THR 8 26.805 22.829 -0.547 0.4900 > >>> 1.0000 > >>> ATOM 121 N THR 9 28.115 18.714 0.658 -0.4000 > >>> 1.5000 > >>> ATOM 122 CA THR 9 29.068 17.779 0.078 -0.0000 > >>> 2.0000 > >>> ATOM 123 C THR 9 28.599 17.194 -1.255 0.5500 > >>> 1.7000 > >>> ATOM 124 O THR 9 29.205 16.285 -1.818 -0.5500 > >>> 1.4000 > >>> ATOM 125 CB THR 9 29.327 16.642 1.117 0.0000 > >>> 2.0000 > >>> ATOM 126 OG1 THR 9 28.075 16.121 1.544 -0.4900 > >>> 1.4000 > >>> ATOM 127 CG2 THR 9 30.071 17.152 2.333 0.0000 > >>> 2.0000 > >>> ATOM 128 HA THR 9 29.942 18.270 -0.085 0.0000 > >>> 0.0000 > >>> ATOM 129 HG22 THR 9 30.992 16.752 2.366 0.0000 > >>> 0.0000 > >>> ATOM 130 HG21 THR 9 30.152 18.152 2.292 0.0000 > >>> 0.0000 > >>> ATOM 131 HN THR 9 27.233 18.400 1.140 0.4000 > >>> 1.0000 > >>> ATOM 132 HB THR 9 29.850 15.904 0.654 0.0000 > >>> 0.0000 > >>> ATOM 133 HG23 THR 9 29.576 16.899 3.170 0.0000 > >>> 0.0000 > >>> ATOM 134 HG1 THR 9 27.696 16.677 2.293 0.4900 > >>> 1.0000 > >>> ATOM 135 N SER 10 27.521 17.733 -1.807 -0.4000 > >>> 1.5000 > >>> ATOM 136 CA SER 10 26.893 17.198 -3.007 -0.0000 > >>> 2.0000 > >>> ATOM 137 C SER 10 27.679 17.367 -4.305 0.5500 > >>> 1.7000 > >>> ATOM 138 O SER 10 27.722 16.508 -5.199 -0.5500 > >>> 1.4000 > >>> ATOM 139 CB SER 10 25.528 17.876 -3.187 0.0000 > >>> 2.0000 > >>> ATOM 140 OG SER 10 24.980 18.337 -1.946 -0.4900 > >>> 1.4000 > >>> ATOM 141 HN SER 10 27.158 18.579 -1.305 0.4000 > >>> 1.0000 > >>> ATOM 142 HA SER 10 26.750 16.191 -2.863 0.0000 > >>> 0.0000 > >>> ATOM 143 HB1 SER 10 24.893 17.219 -3.590 0.0000 > >>> 0.0000 > >>> ATOM 144 HB2 SER 10 25.634 18.659 -3.798 0.0000 > >>> 0.0000 > >>> ATOM 145 HG SER 10 25.339 19.245 -1.749 0.4900 > >>> 1.0000 > >>> ATOM 146 N ARG 11 28.232 18.569 -4.408 -0.4000 > >>> 1.5000 > >>> ATOM 147 CA ARG 11 28.877 19.008 -5.631 -0.0000 > >>> 2.0000 > >>> ATOM 148 C ARG 11 30.240 18.375 -5.786 0.5500 > >>> 1.7000 > >>> ATOM 149 O ARG 11 31.019 18.275 -4.831 -0.5500 > >>> 1.4000 > >>> ATOM 150 CB ARG 11 28.934 20.531 -5.596 0.0000 > >>> 2.0000 > >>> ATOM 151 CG ARG 11 27.508 21.051 -5.683 0.0000 > >>> 2.0000 > >>> ATOM 152 CD ARG 11 27.410 22.535 -5.420 0.3500 > >>> 2.0000 > >>> ATOM 153 NE ARG 11 26.031 22.962 -5.590 -0.3500 > >>> 1.5000 > >>> ATOM 154 CZ ARG 11 25.702 23.994 -6.370 0.3500 > >>> 1.7000 > >>> ATOM 155 NH1 ARG 11 26.629 24.686 -7.033 -0.7000 > >>> 1.5000 > >>> ATOM 156 NH2 ARG 11 24.421 24.336 -6.491 -0.7000 > >>> 1.5000 > >>> ATOM 157 HG1 ARG 11 26.941 20.574 -5.007 0.0000 > >>> 0.0000 > >>> ATOM 158 HA ARG 11 28.302 18.739 -6.417 0.0000 > >>> 0.0000 > >>> ATOM 159 HE ARG 11 25.311 22.475 -5.114 0.4500 > >>> 1.0000 > >>> ATOM 160 HG2 ARG 11 27.145 20.869 -6.600 0.0000 > >>> 0.0000 > >>> ATOM 161 HH22 ARG 11 24.166 25.118 -7.057 0.4000 > >>> 1.0000 > >>> ATOM 162 HH21 ARG 11 23.716 23.810 -6.016 0.4000 > >>> 1.0000 > >>> ATOM 163 HN ARG 11 28.163 19.155 -3.551 0.4000 > >>> 1.0000 > >>> ATOM 164 HD1 ARG 11 27.984 23.005 -6.071 0.0000 > >>> 0.0000 > >>> ATOM 165 HD2 ARG 11 27.697 22.707 -4.491 0.0000 > >>> 0.0000 > >>> ATOM 166 HH12 ARG 11 26.358 25.465 -7.595 0.4000 > >>> 1.0000 > >>> ATOM 167 HH11 ARG 11 27.589 24.422 -6.966 0.4000 > >>> 1.0000 > >>> ATOM 168 HB1 ARG 11 29.422 20.844 -6.374 0.0000 > >>> 0.0000 > >>> ATOM 169 HB2 ARG 11 29.311 20.810 -4.746 0.0000 > >>> 0.0000 > >>> ATOM 170 N ALA 12 30.495 17.954 -7.023 -0.4000 > >>> 1.5000 > >>> ATOM 171 CA ALA 12 31.698 17.196 -7.349 -0.0000 > >>> 2.0000 > >>> ATOM 172 C ALA 12 32.986 18.029 -7.429 0.5500 > >>> 1.7000 > >>> ATOM 173 O ALA 12 33.698 17.951 -8.444 -0.5500 > >>> 1.4000 > >>> ATOM 174 CB ALA 12 31.456 16.461 -8.694 0.0000 > >>> 2.0000 > >>> ATOM 175 HN ALA 12 29.772 18.209 -7.726 0.4000 > >>> 1.0000 > >>> ATOM 176 HA ALA 12 31.832 16.475 -6.636 0.0000 > >>> 0.0000 > >>> ATOM 177 HB1 ALA 12 30.657 15.876 -8.599 0.0000 > >>> 0.0000 > >>> ATOM 178 HB3 ALA 12 31.303 17.139 -9.405 -- Andrew Purkiss-Trew X-ray Laboratory London Research Institute Cancer Research UK |