June 2020 - ChimeraX-users - RBVI Mailing Lists

Surface dust command in the .cxc script
by 李泽 24 Feb '25

24 Feb '25

Hi all: I'm trying to use the .cxc script to run the software, I found that the "surface dust" command has never been executed in it. Have anyone met the same problem? Any suggestions. Thank you all. Best, Ze

3 3

Get color code of a custom color
by Ahmad Khalifa 11 Feb '25

11 Feb '25

I created a custom color that I want to use in a different session. is there a way to do that besides trying to match colors by eye? Regards.

5 4

Double and Triple Bond Stick Style
by Smith, Chase 05 Feb '25

05 Feb '25

Dear ChimeraX, I was just wondering why there is no way to represent a double or triple bond in either the ligands or the protein amino acids when viewing as a Stick or Ball-and-Stick representation? I sometimes use Chimera or ChimeraX to make visuals for my lectures, and the students often have difficulty in understanding due to the absence of the multiple bonds. I would love to have the ability to represent the double or triple bonds with multiple lines between the atoms. Thank you, Chase Smith ... ChaseSmith, PhD Chair, Department of Pharmaceutical Sciences & Associate Professor of Medicinal Chemistry School of Pharmacy MCPHS University 19 Foster Street | WorcesterMA01608 T 508.373.5717F 508.890.5618C 978.855.7203 chase.smith(a)mcphs.edu www.mcphs.edu MCPHS University Confidentiality Note: This e-mail, and any attachment to it, is intended to be confidential and might be legally privileged. It is intended solely for the use of the addressee. If you are not the intended recipient, you are hereby notified that reading, copying, disseminating or distributing this email is strictly prohibited. If you have received this e-mail in error, please immediately return it to the sender and delete it from your system. Thank you.

5 5

Re: [chimerax-users] [Chimera-users] color by zone in chimeraX
by Elaine Meng 20 Nov '20

20 Nov '20

Hi Pranav, I’m Cc'ing the chimerax-users(a)cgl.ucsf.edu list (recommended for ChimeraX questions). I believe the problem is that when coloring the chains you are using “target c” which means to color only cartoons, whereas coloring by zone uses the atom colors. Since you only colored the cartoons, the atoms probably still had heteroatom color-coding. If you use “target ac” instead (even if the atoms aren’t shown), then as long as the color zone distance is big enough, I think you will get the color zones you expect. <http://rbvi.ucsf.edu/chimerax/docs/user/commands/color.html#simple> <http://rbvi.ucsf.edu/chimerax/docs/user/commands/color.html#zone> I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco > On Aug 20, 2019, at 10:54 AM, Pranav Shah <p.shah.lab(a)gmail.com> wrote: > > Hi Elaine and Co., > > I am trying to color a virus map with the relevant pdb file, the > series of commands I am running are as follows, > open virus.mrc > open virus.pdb > color /A plum target c > color /B lightgreen target c > color /C dodger blue target c > color zone #1 near #2 dist 3 > However, the resultant surface is rendered in splotches of red and > blue, which leads me to think the it is coloring the surface using > atom type. Could you tell me how I can get Chimera X to color the > surface using the colors of the chains only? FYI, color by zone works > flawlessly in chimera. > > Cheers, > Pranav

2 6

Is color command slower in ChimeraX than Chimera?
by Mungo Carstairs (Staff) 30 Jun '20

30 Jun '20

Hi, I'm testing driving ChimeraX (or Chimera) from Jalview, in particular colouring structures using the Jalview alignment residue colouring. Ideally this should perform well at scale for large numbers of structures and/or colours (for example a graduated colouring based on some property). I've noticed that ChimeraX appears to do this slower than Chimera. Is there a reason, or something I should do to make the command faster? Here's an example like for like comparison using the Chimera/X command line (also attached as a text file): Chimera 1.15 (build 42156) > open cifID:4zho cifID:5h92 cifID:1a70 cifID:4zhp > focus > color #977b64 #0:2.A,2.B;color #e46daf #0:3.A,3.B;color #7dc891 #0:4.A,4.B;color #768daf #0:5.A,5.B;color #bb1691 #0:6.A,6.B;color #1c5355 #0:7.A,7.B;color #5b1873 #0:8.A,8.B;color #d0af91 #0:9.A,9.B;color #6cb737 #0:10.A,10.B;color #8d7c55 #0:11.A,11.B;color #844173 #0:12.A,12.B;color #1f15a0 #0:13.A,13.B;color #a27f91 #0:14.A,14.B;color #19cb64 #0:15.A,15.B;color #484537 #0:16.A,16.B;color #61be37 #0:17.A,17.B;color #84a173 #0:18.A,18.B;color #c76691 #0:19.A,19.B;color #8f31a0 #0:20.A,20.B;color #9eb9af #0:21.A,21.B;color #531564 #0:22.A,22.B;color #707046 #0:23.A,23.B;color #9b80af #0:24.A,24.B;color #ca18a0 #0:25.A,25.B;color #377382 #0:26.A,26.B;color #26a137 #0:27.A,27.B;color #d3b1a0 #0:28.A,28.B;color #e267af #0:29.A,29.B;color #c023af #0:30.A,30.B;color #b18da0 #0:31.A,31.B;color #88bb55 #0:32.A,32.B;color #1fada0 #0:33.A,33.B;color #b22773 #0:34.A,34.B;color #ad19be #0:35.A,35.B;color #6483af #0:36.A,36.B;color #c9de91 #0:37.A,37.B;color #aab2be #0:38.A,38.B;color #59d164 #0:39.A,39.B;color #6d6037 #0:40.A,40.B;color #1cd937 #0:41.A,41.B;color #b5cb82 #0:42.A,42.B;color #e28191 #0:43.A,43.B;color #9537a0 #0:44.A,44.B;color #d6b0a0 #0:45.A,45.B;color #3bcf46 #0:46.A,46.B;color #2c6737 #0:47.A,47.B;color #e586af #0:48.A,48.B;color #e22daf #0:49.A,49.B;color #e29d91 #0:50.A,50.B;color #493582 #0:51.A,51.B;color #cacca0 #0:52.A,52.B;color #7f2855 #0:53.A,53.B;color #86dd91 #0:54.A,54.B;color #b55764 #0:55.A,55.B;color #4ac155 #0:56.A,56.B;color #614a37 #0:57.A,57.B;color #9e69af #0:58.A,58.B;color #5f8855 #0:59.A,59.B;color #958fa0 #0:60.A,60.B;color #9e45af #0:61.A,61.B;color #b9beaf #0:62.A,62.B;color #4add55 #0:63.A,63.B;color #5ba273 #0:64.A,64.B;color #bedf37 #0:65.A,65.B;color #359546 #0:66.A,66.B;color #262d37 #0:67.A,67.B;color #cf5bbe #0:68.A,68.B;color #505c46 #0:69.A,69.B;color #76db37 #0:70.A,70.B;color #3d37be #0:71.A,71.B;color #a28391 #0:72.A,72.B;color #b5cf64 #0:73.A,73.B;color #88b2a0 #0:74.A,74.B;color #bb4a91 #0:75.A,75.B;color #dc8755 #0:76.A,76.B;color #d579a0 #0:77.A,77.B;color #7c9846 #0:78.A,78.B;color #b57b82 #0:79.A,79.B;color #79cd46 #0:80.A,80.B;color #aa1abe #0:81.A,81.B;color #ab4873 #0:82.A,82.B;color #c6df91 #0:83.A,83.B;color #b3b3be #0:84.A,84.B;color #802d91 #0:85.A,85.B;color #d9c4af #0:86.A,86.B;color #c64d91 #0:87.A,87.B;color #857b46 #0:88.A,88.B;color #a26d91 #0:89.A,89.B;color #c62991 #0:90.A,90.B;color #adb1a0 #0:91.A,91.B;color #584991 #0:92.A,92.B;color #93b382 #0:93.A,93.B;color #48e137 #0:94.A,94.B;color #88c56f #1:1.C;color #7b5d60 #1:2.C;color #32d660 #1:3.C;color #339b7e #1:4.C;color #702460 #1:5.C;color #6725ba #1:6.C;color #dc536f #1:7.C;color #a3db7e #1:8.C;color #a8918d #1:9.C;color #d84eba #1:10.C;color #758b7e #1:11.C;color #88d751 #1:12.C;color #75ab7e #1:13.C;color #8e527e #1:14.C;color #cf53d8 #1:15.C;color #dc636f #1:16.C;color #7d288d #1:17.C;color #707460 #1:18.C;color #6fde51 #1:19.C;color #35a960 #1:20.C;color #627d8d #1:21.C;color #bb42ab #1:22.C;color #327060 #1:23.C;color #a3357e #1:24.C;color #28bd8d #1:25.C;color #8f91ba #1:26.C;color #c856d8 #1:27.C;color #795760 #1:28.C;color #c067c9 #1:29.C;color #669b6f #1:30.C;color #adabd8 #1:31.C;color #889d51 #1:32.C;color #c18f9c #1:33.C;color #26bd51 #1:34.C;color #55cdba #1:35.C;color #7e1a60 #1:36.C;color #238451 #1:37.C;color #68678d #1:38.C;color #6da451 #1:39.C;color #a315d8 #1:40.C;color #88256f #1:41.C;color #1f17ba #1:42.C;color #4a456f #1:43.C;color #6da051 #1:44.C;color #a4bfc9 #1:45.C;color #9557ba #1:46.C;color #d6d0ba #1:47.C;color #791d60 #1:48.C;color #e2e1ab #1:49.C;color #1c616f #1:50.C;color #7fda6f #1:51.C;color #8e907e #1:52.C;color #77559c #1:53.C;color #c4bf8d #1:54.C;color #77759c #1:55.C;color #1658d8 #1:56.C;color #add1d8 #1:57.C;color #aa5aba #1:58.C;color #95d3ba #1:59.C;color #adadd8 #1:60.C;color #aa36ba #1:61.C;color #95afba #1:62.C;color #aa74d8 #1:63.C;color #731bd8 #1:64.C;color #442b6f #1:65.C;color #8f1dba #1:66.C;color #882d51 #1:67.C;color #9b2eab #1:68.C;color #764d51 #1:69.C;color #6adb51 #1:70.C;color #359160 #1:71.C;color #e283ab #1:72.C;color #ddb160 #1:73.C;color #cab2ba #1:74.C;color #5559ba #1:75.C;color #8a876f #1:76.C;color #c76aab #1:77.C;color #62a76f #1:78.C;color #793f60 #1:79.C;color #23be51 #1:80.C;color #bab09c #1:81.C;color #99397e #1:82.C;color #a42bc9 #1:83.C;color #53597e #1:84.C;color #165ad8 #1:85.C;color #9d888d #1:86.C;color #d04dab #1:87.C;color #b1d5ba #1:88.C;color #c66dab #1:89.C;color #44a151 #1:90.C;color #df5760 #1:91.C;color #66df6f #1:92.C;color #cf1dd8 #1:93.C;color #a269ab #1:94.C;color #551fba #1:95.C;color #e4a7c9 #1:96.C;color #1f5c8b #2:1.A;color #a68a40 #2:2.A;color #5f3140 #2:3.A;color #76147c #2:4.A;color #9d5140 #2:5.A;color #6c8ed6 #2:6.A;color #37804f #2:7.A;color #8edb31 #2:8.A;color #7b64e5 #2:9.A;color #ab2140 #2:10.A;color #a89a40 #2:11.A;color #b53231 #2:12.A;color #7e247c #2:13.A;color #6125d6 #2:14.A;color #a2265e #2:15.A;color #97bd7c #2:16.A;color #aa556d #2:17.A;color #a9a140 #2:18.A;color #9c3931 #2:19.A;color #9e407c #2:20.A;color #8faa6d #2:21.A;color #166f8b #2:22.A;color #9bd97c #2:23.A;color #76dad6 #2:24.A;color #cd90e5 #2:25.A;color #2628d6 #2:26.A;color #97ce31 #2:27.A;color #e2c07c #2:28.A;color #933a4f #2:29.A;color #cf328b #2:30.A;color #a27e5e #2:31.A;color #b5ca31 #2:32.A;color #946222 #2:33.A;color #8f546d #2:34.A;color #28a040 #2:35.A;color #ab4740 #2:36.A;color #8c1b6d #2:37.A;color #95946d #2:38.A;color #d63b6d #2:39.A;color #76ba5e #2:40.A;color #b5524f #2:41.A;color #8880d6 #2:42.A;color #b3ae8b #2:43.A;color #9acd31 #2:44.A;color #77924f #2:45.A;color #2cc0d6 #2:46.A;color #a9a340 #2:47.A;color #e2867c #2:48.A;color #b5b431 #2:49.A;color #498e4f #2:50.A;color #64627c #2:51.A;color #85188b #2:52.A;color #e4827c #2:53.A;color #1f1a6d #2:54.A;color #a4a27c #2:55.A;color #cdb2e5 #2:56.A;color #60a45e #2:57.A;color #7d2d40 #2:58.A;color #80c45e #2:59.A;color #444422 #2:60.A;color #7ddb40 #2:61.A;color #688240 #2:62.A;color #1fbfd6 #2:63.A;color #46c05e #2:64.A;color #71584f #2:65.A;color #2686d6 #2:66.A;color #353ce5 #2:67.A;color #c85b8b #2:68.A;color #a37a31 #2:69.A;color #3518e5 #2:70.A;color #4882d6 #2:71.A;color #b55631 #2:72.A;color #74487c #2:73.A;color #6149d6 #2:74.A;color #282c40 #2:75.A;color #211e8b #2:76.A;color #22978b #2:77.A;color #7998e5 #2:78.A;color #a66c40 #2:79.A;color #501931 #2:80.A;color #15dd7c #2:81.A;color #ca756d #2:82.A;color #3b94e5 #2:83.A;color #262cd6 #2:84.A;color #7fc322 #2:85.A;color #a88840 #2:86.A;color #2b7a8b #2:87.A;color #486cd6 #2:88.A;color #994031 #2:89.A;color #71ce31 #2:90.A;color #3a8440 #2:91.A;color #ffffff #2:92.A;color #a2c25e #2:93.A;color #cf968b #2:94.A;color #28c440 #2:95.A;color #7b3ee5 #2:96.A;color #6aa8d6 #2:97.A;color #977b82 #3:2.A;color #683191 #3:3.A;color #7dc8af #3:4.A;color #768dcd #3:5.A;color #bb16af #3:6.A;color #1c5373 #3:7.A;color #3727a0 #3:8.A;color #d0afaf #3:9.A;color #6cb755 #3:10.A;color #8d7c73 #3:11.A;color #26d755 #3:12.A;color #1f15be #3:13.A;color #7e3464 #3:14.A;color #df35be #3:15.A;color #484555 #3:16.A;color #9764cd #3:17.A;color #84a191 #3:18.A;color #c766af #3:19.A;color #6f9a55 #3:20.A;color #9eb9cd #3:21.A;color #531582 #3:22.A;color #707064 #3:23.A;color #9b80cd #3:24.A;color #d0dbaf #3:25.A;color #3773a0 #3:26.A;color #26a155 #3:27.A;color #414855 #3:28.A;color #e267cd #3:29.A;color #c023cd #3:30.A;color #b18dbe #3:31.A;color #84d991 #3:32.A;color #1fadbe #3:33.A;color #bc63cd #3:34.A;color #ad19dc #3:35.A;color #6483cd #3:36.A;color #c9deaf #3:37.A;color #aab2dc #3:38.A;color #59d182 #3:39.A;color #6d6055 #3:40.A;color #1cd955 #3:41.A;color #b5cba0 #3:42.A;color #e281af #3:43.A;color #9537be #3:44.A;color #d6b0be #3:45.A;color #3bcf64 #3:46.A;color #2c6755 #3:47.A;color #e586cd #3:48.A;color #e22dcd #3:49.A;color #e29daf #3:50.A;color #4935a0 #3:51.A;color #caccbe #3:52.A;color #d573be #3:53.A;color #e229cd #3:54.A;color #b55782 #3:55.A;color #e449cd #3:56.A;color #614a55 #3:57.A;color #9e69cd #3:58.A;color #5f8873 #3:59.A;color #958fbe #3:60.A;color #9e45cd #3:61.A;color #975564 #3:62.A;color #1cdd73 #3:63.A;color #5ba291 #3:64.A;color #bedf55 #3:65.A;color #359564 #3:66.A;color #262d55 #3:67.A;color #711fa0 #3:68.A;color #505c64 #3:69.A;color #662773 #3:70.A;color #d319be #3:71.A;color #e2a1cd #3:72.A;color #b5cf82 #3:73.A;color #88b2be #3:74.A;color #bb4aaf #3:75.A;color #dc8773 #3:76.A;color #d579be #3:77.A;color #7c9864 #3:78.A;color #9d6c91 #3:79.A;color #79cd64 #3:80.A;color #aa1adc #3:81.A;color #ab4891 #3:82.A;color #1ca373 #3:83.A;color #8b4a73 #3:84.A;color #802daf #3:85.A;color #d9c4cd #3:86.A;color #c64daf #3:87.A;color #857b64 #3:88.A;color #a26daf #3:89.A;color #c629af #3:90.A;color #adb1be #3:91.A;color #5849af #3:92.A;color #93b3a0 #3:93.A;color #48e155 #3:94.A;color #93d3a0 #3:95.A;color #dc4d73 #3:96.A;color #d53fbe #3:97.A;color #6a4f55 #3:98.A On my Macbook these color commands take about 2 seconds. ChimeraX 1.0 (2020-06-04): > open pdb:4zho pdb:5h92 pdb:1a70 pdb:4zhp > view > color #1/A:2/B:2 #977b64;color #1/A:3/B:3 #e46daf;color #1/A:4/B:4 #7dc891;color #1/A:5/B:5 #768daf;color #1/A:6/B:6 #bb1691;color #1/A:7/B:7 #1c5355;color #1/A:8/B:8 #5b1873;color #1/A:9/B:9 #d0af91;color #1/A:10/B:10 #6cb737;color #1/A:11/B:11 #8d7c55;color #1/A:12/B:12 #844173;color #1/A:13/B:13 #1f15a0;color #1/A:14/B:14 #a27f91;color #1/A:15/B:15 #19cb64;color #1/A:16/B:16 #484537;color #1/A:17/B:17 #61be37;color #1/A:18/B:18 #84a173;color #1/A:19/B:19 #c76691;color #1/A:20/B:20 #8f31a0;color #1/A:21/B:21 #9eb9af;color #1/A:22/B:22 #531564;color #1/A:23/B:23 #707046;color #1/A:24/B:24 #9b80af;color #1/A:25/B:25 #ca18a0;color #1/A:26/B:26 #377382;color #1/A:27/B:27 #26a137;color #1/A:28/B:28 #d3b1a0;color #1/A:29/B:29 #e267af;color #1/A:30/B:30 #c023af;color #1/A:31/B:31 #b18da0;color #1/A:32/B:32 #88bb55;color #1/A:33/B:33 #1fada0;color #1/A:34/B:34 #b22773;color #1/A:35/B:35 #ad19be;color #1/A:36/B:36 #6483af;color #1/A:37/B:37 #c9de91;color #1/A:38/B:38 #aab2be;color #1/A:39/B:39 #59d164;color #1/A:40/B:40 #6d6037;color #1/A:41/B:41 #1cd937;color #1/A:42/B:42 #b5cb82;color #1/A:43/B:43 #e28191;color #1/A:44/B:44 #9537a0;color #1/A:45/B:45 #d6b0a0;color #1/A:46/B:46 #3bcf46;color #1/A:47/B:47 #2c6737;color #1/A:48/B:48 #e586af;color #1/A:49/B:49 #e22daf;color #1/A:50/B:50 #e29d91;color #1/A:51/B:51 #493582;color #1/A:52/B:52 #cacca0;color #1/A:53/B:53 #7f2855;color #1/A:54/B:54 #86dd91;color #1/A:55/B:55 #b55764;color #1/A:56/B:56 #4ac155;color #1/A:57/B:57 #614a37;color #1/A:58/B:58 #9e69af;color #1/A:59/B:59 #5f8855;color #1/A:60/B:60 #958fa0;color #1/A:61/B:61 #9e45af;color #1/A:62/B:62 #b9beaf;color #1/A:63/B:63 #4add55;color #1/A:64/B:64 #5ba273;color #1/A:65/B:65 #bedf37;color #1/A:66/B:66 #359546;color #1/A:67/B:67 #262d37;color #1/A:68/B:68 #cf5bbe;color #1/A:69/B:69 #505c46;color #1/A:70/B:70 #76db37;color #1/A:71/B:71 #3d37be;color #1/A:72/B:72 #a28391;color #1/A:73/B:73 #b5cf64;color #1/A:74/B:74 #88b2a0;color #1/A:75/B:75 #bb4a91;color #1/A:76/B:76 #dc8755;color #1/A:77/B:77 #d579a0;color #1/A:78/B:78 #7c9846;color #1/A:79/B:79 #b57b82;color #1/A:80/B:80 #79cd46;color #1/A:81/B:81 #aa1abe;color #1/A:82/B:82 #ab4873;color #1/A:83/B:83 #c6df91;color #1/A:84/B:84 #b3b3be;color #1/A:85/B:85 #802d91;color #1/A:86/B:86 #d9c4af;color #1/A:87/B:87 #c64d91;color #1/A:88/B:88 #857b46;color #1/A:89/B:89 #a26d91;color #1/A:90/B:90 #c62991;color #1/A:91/B:91 #adb1a0;color #1/A:92/B:92 #584991;color #1/A:93/B:93 #93b382;color #1/A:94/B:94 #48e137;color #2/C:1 #88c56f;color #2/C:2 #7b5d60;color #2/C:3 #32d660;color #2/C:4 #339b7e;color #2/C:5 #702460;color #2/C:6 #6725ba;color #2/C:7 #dc536f;color #2/C:8 #a3db7e;color #2/C:9 #a8918d;color #2/C:10 #d84eba;color #2/C:11 #758b7e;color #2/C:12 #88d751;color #2/C:13 #75ab7e;color #2/C:14 #8e527e;color #2/C:15 #cf53d8;color #2/C:16 #dc636f;color #2/C:17 #7d288d;color #2/C:18 #707460;color #2/C:19 #6fde51;color #2/C:20 #35a960;color #2/C:21 #627d8d;color #2/C:22 #bb42ab;color #2/C:23 #327060;color #2/C:24 #a3357e;color #2/C:25 #28bd8d;color #2/C:26 #8f91ba;color #2/C:27 #c856d8;color #2/C:28 #795760;color #2/C:29 #c067c9;color #2/C:30 #669b6f;color #2/C:31 #adabd8;color #2/C:32 #889d51;color #2/C:33 #c18f9c;color #2/C:34 #26bd51;color #2/C:35 #55cdba;color #2/C:36 #7e1a60;color #2/C:37 #238451;color #2/C:38 #68678d;color #2/C:39 #6da451;color #2/C:40 #a315d8;color #2/C:41 #88256f;color #2/C:42 #1f17ba;color #2/C:43 #4a456f;color #2/C:44 #6da051;color #2/C:45 #a4bfc9;color #2/C:46 #9557ba;color #2/C:47 #d6d0ba;color #2/C:48 #791d60;color #2/C:49 #e2e1ab;color #2/C:50 #1c616f;color #2/C:51 #7fda6f;color #2/C:52 #8e907e;color #2/C:53 #77559c;color #2/C:54 #c4bf8d;color #2/C:55 #77759c;color #2/C:56 #1658d8;color #2/C:57 #add1d8;color #2/C:58 #aa5aba;color #2/C:59 #95d3ba;color #2/C:60 #adadd8;color #2/C:61 #aa36ba;color #2/C:62 #95afba;color #2/C:63 #aa74d8;color #2/C:64 #731bd8;color #2/C:65 #442b6f;color #2/C:66 #8f1dba;color #2/C:67 #882d51;color #2/C:68 #9b2eab;color #2/C:69 #764d51;color #2/C:70 #6adb51;color #2/C:71 #359160;color #2/C:72 #e283ab;color #2/C:73 #ddb160;color #2/C:74 #cab2ba;color #2/C:75 #5559ba;color #2/C:76 #8a876f;color #2/C:77 #c76aab;color #2/C:78 #62a76f;color #2/C:79 #793f60;color #2/C:80 #23be51;color #2/C:81 #bab09c;color #2/C:82 #99397e;color #2/C:83 #a42bc9;color #2/C:84 #53597e;color #2/C:85 #165ad8;color #2/C:86 #9d888d;color #2/C:87 #d04dab;color #2/C:88 #b1d5ba;color #2/C:89 #c66dab;color #2/C:90 #44a151;color #2/C:91 #df5760;color #2/C:92 #66df6f;color #2/C:93 #cf1dd8;color #2/C:94 #a269ab;color #2/C:95 #551fba;color #2/C:96 #e4a7c9;color #3/A:1 #1f5c8b;color #3/A:2 #a68a40;color #3/A:3 #5f3140;color #3/A:4 #76147c;color #3/A:5 #9d5140;color #3/A:6 #6c8ed6;color #3/A:7 #37804f;color #3/A:8 #8edb31;color #3/A:9 #7b64e5;color #3/A:10 #ab2140;color #3/A:11 #a89a40;color #3/A:12 #b53231;color #3/A:13 #7e247c;color #3/A:14 #6125d6;color #3/A:15 #a2265e;color #3/A:16 #97bd7c;color #3/A:17 #aa556d;color #3/A:18 #a9a140;color #3/A:19 #9c3931;color #3/A:20 #9e407c;color #3/A:21 #8faa6d;color #3/A:22 #166f8b;color #3/A:23 #9bd97c;color #3/A:24 #76dad6;color #3/A:25 #cd90e5;color #3/A:26 #2628d6;color #3/A:27 #97ce31;color #3/A:28 #e2c07c;color #3/A:29 #933a4f;color #3/A:30 #cf328b;color #3/A:31 #a27e5e;color #3/A:32 #b5ca31;color #3/A:33 #946222;color #3/A:34 #8f546d;color #3/A:35 #28a040;color #3/A:36 #ab4740;color #3/A:37 #8c1b6d;color #3/A:38 #95946d;color #3/A:39 #d63b6d;color #3/A:40 #76ba5e;color #3/A:41 #b5524f;color #3/A:42 #8880d6;color #3/A:43 #b3ae8b;color #3/A:44 #9acd31;color #3/A:45 #77924f;color #3/A:46 #2cc0d6;color #3/A:47 #a9a340;color #3/A:48 #e2867c;color #3/A:49 #b5b431;color #3/A:50 #498e4f;color #3/A:51 #64627c;color #3/A:52 #85188b;color #3/A:53 #e4827c;color #3/A:54 #1f1a6d;color #3/A:55 #a4a27c;color #3/A:56 #cdb2e5;color #3/A:57 #60a45e;color #3/A:58 #7d2d40;color #3/A:59 #80c45e;color #3/A:60 #444422;color #3/A:61 #7ddb40;color #3/A:62 #688240;color #3/A:63 #1fbfd6;color #3/A:64 #46c05e;color #3/A:65 #71584f;color #3/A:66 #2686d6;color #3/A:67 #353ce5;color #3/A:68 #c85b8b;color #3/A:69 #a37a31;color #3/A:70 #3518e5;color #3/A:71 #4882d6;color #3/A:72 #b55631;color #3/A:73 #74487c;color #3/A:74 #6149d6;color #3/A:75 #282c40;color #3/A:76 #211e8b;color #3/A:77 #22978b;color #3/A:78 #7998e5;color #3/A:79 #a66c40;color #3/A:80 #501931;color #3/A:81 #15dd7c;color #3/A:82 #ca756d;color #3/A:83 #3b94e5;color #3/A:84 #262cd6;color #3/A:85 #7fc322;color #3/A:86 #a88840;color #3/A:87 #2b7a8b;color #3/A:88 #486cd6;color #3/A:89 #994031;color #3/A:90 #71ce31;color #3/A:91 #3a8440;color #3/A:92 #ffffff;color #3/A:93 #a2c25e;color #3/A:94 #cf968b;color #3/A:95 #28c440;color #3/A:96 #7b3ee5;color #3/A:97 #6aa8d6;color #4/A:2 #977b82;color #4/A:3 #683191;color #4/A:4 #7dc8af;color #4/A:5 #768dcd;color #4/A:6 #bb16af;color #4/A:7 #1c5373;color #4/A:8 #3727a0;color #4/A:9 #d0afaf;color #4/A:10 #6cb755;color #4/A:11 #8d7c73;color #4/A:12 #26d755;color #4/A:13 #1f15be;color #4/A:14 #7e3464;color #4/A:15 #df35be;color #4/A:16 #484555;color #4/A:17 #9764cd;color #4/A:18 #84a191;color #4/A:19 #c766af;color #4/A:20 #6f9a55;color #4/A:21 #9eb9cd;color #4/A:22 #531582;color #4/A:23 #707064;color #4/A:24 #9b80cd;color #4/A:25 #d0dbaf;color #4/A:26 #3773a0;color #4/A:27 #26a155;color #4/A:28 #414855;color #4/A:29 #e267cd;color #4/A:30 #c023cd;color #4/A:31 #b18dbe;color #4/A:32 #84d991;color #4/A:33 #1fadbe;color #4/A:34 #bc63cd;color #4/A:35 #ad19dc;color #4/A:36 #6483cd;color #4/A:37 #c9deaf;color #4/A:38 #aab2dc;color #4/A:39 #59d182;color #4/A:40 #6d6055;color #4/A:41 #1cd955;color #4/A:42 #b5cba0;color #4/A:43 #e281af;color #4/A:44 #9537be;color #4/A:45 #d6b0be;color #4/A:46 #3bcf64;color #4/A:47 #2c6755;color #4/A:48 #e586cd;color #4/A:49 #e22dcd;color #4/A:50 #e29daf;color #4/A:51 #4935a0;color #4/A:52 #caccbe;color #4/A:53 #d573be;color #4/A:54 #e229cd;color #4/A:55 #b55782;color #4/A:56 #e449cd;color #4/A:57 #614a55;color #4/A:58 #9e69cd;color #4/A:59 #5f8873;color #4/A:60 #958fbe;color #4/A:61 #9e45cd;color #4/A:62 #975564;color #4/A:63 #1cdd73;color #4/A:64 #5ba291;color #4/A:65 #bedf55;color #4/A:66 #359564;color #4/A:67 #262d55;color #4/A:68 #711fa0;color #4/A:69 #505c64;color #4/A:70 #662773;color #4/A:71 #d319be;color #4/A:72 #e2a1cd;color #4/A:73 #b5cf82;color #4/A:74 #88b2be;color #4/A:75 #bb4aaf;color #4/A:76 #dc8773;color #4/A:77 #d579be;color #4/A:78 #7c9864;color #4/A:79 #9d6c91;color #4/A:80 #79cd64;color #4/A:81 #aa1adc;color #4/A:82 #ab4891;color #4/A:83 #1ca373;color #4/A:84 #8b4a73;color #4/A:85 #802daf;color #4/A:86 #d9c4cd;color #4/A:87 #c64daf;color #4/A:88 #857b64;color #4/A:89 #a26daf;color #4/A:90 #c629af;color #4/A:91 #adb1be;color #4/A:92 #5849af;color #4/A:93 #93b3a0;color #4/A:94 #48e155;color #4/A:95 #93d3a0;color #4/A:96 #dc4d73;color #4/A:97 #d53fbe;color #4/A:98 #6a4f55 These color commands take 15-16 seconds. Thanks, Mungo [University of Dundee shield logo]<http://uod.ac.uk/sig-home> Mungo Carstairs Jalview Computational Scientist The Barton Group Division of Computational Biology School of Life Sciences University of Dundee, Dundee, Scotland, UK www.jalview.org<http://www.jalview.org> www.compbio.dundee.ac.uk<http://www.compbio.dundee.ac.uk> g.m.carstairs(a)dundee.ac.uk<mailto:g.m.carstairs@dundee.ac.uk> [University of Dundee Facebook]<http://uod.ac.uk/sig-fb> [University of Dundee Twitter] <http://uod.ac.uk/sig-tw> [University of Dundee LinkedIn] <http://uod.ac.uk/sig-li> [University of Dundee YouTube] <http://uod.ac.uk/sig-yt> [University of Dundee Instagram] <http://uod.ac.uk/sig-ig> [University of Dundee Snapchat] <http://uod.ac.uk/sig-sc> We're Scottish University of the Year again!<http://uod.ac.uk/sig-strapline> The Times / Sunday Times Good University Guide 2016 and 2017 The University of Dundee is a registered Scottish Charity, No: SC015096

2 1

creating an annotated structure
by Melissa Jurica 30 Jun '20

30 Jun '20

Can you provide some guidelines for how one could create an annotated structure to share with colleagues? For example, I would like to annotate the cancer associated mutations of a protein, making it easy for someone to select and visualize the associated residue in a structure. Ideally, these annotations could be grouped and sorted. Even better, they could be linked to other resources. Thanks Melissa

2 2

Converting Chimera movie script
by Vid Sustar 26 Jun '20

26 Jun '20

The following bug report has been submitted: Platform: Linux-5.3.0-61-generic-x86_64-with-debian-buster-sid ChimeraX Version: 1.0 (2020-06-04 23:15:07 UTC) Description Hello! I have tried to adapt the cliping script from http://www.rbvi.ucsf.edu/chimera/data/movie-howto-mar2012/scripts/clip.cmd to work in ChimeraX (because my structure is too big, to be loaded properly in earlier Chimera) I tried to convert the old commands to the ChimeraX, but I get an error in the line "clip front -0.5 120": Expected a keyword Please advise me how to change the code to work with ChimeraX to create a movie or to simply save a series of images of cliped planes Best regards, Vid Sustar Log: UCSF ChimeraX version: 1.0 (2020-06-04) © 2016-2020 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open /home/user/MASTERS/Chimera_files/PythonScripts/clip2.py Traceback (most recent call last): File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/dialog.py", line 150, in _qt_safe if data_format is None else " format " + StringArg.unparse(data_format.nicknames[0]))) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/run.py", line 31, in run results = command.run(text, log=log) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2805, in run result = ci.function(session, **kw_args) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 101, in cmd_open Command(session, registry=registry).run(provider_cmd_text, log=log) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2805, in run result = ci.function(session, **kw_args) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 152, in provider_open name or model_name_from_path(fi.file_name)), provider_kw) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 365, in collated_open return func(*func_args, **func_kw) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core_formats/__init__.py", line 48, in open return open_python_script(session, data, file_name) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/scripting.py", line 82, in open_python_script _exec_python(session, code, argv) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/scripting.py", line 59, in _exec_python exec(code, sandbox.__dict__) File "clip2.py", line 3, in <module> ModuleNotFoundError: No module named 'chimera' ModuleNotFoundError: No module named 'chimera' File "clip2.py", line 3, in See log for complete Python traceback. > ui tool show Shell /usr/lib/ucsf-chimerax/lib/python3.7/site- packages/IPython/core/history.py:226: UserWarning: IPython History requires SQLite, your history will not be saved warn("IPython History requires SQLite, your history will not be saved") > select up Nothing selected > open /home/user/MASTERS/Chimera_files/PythonScripts/clip2.py Traceback (most recent call last): File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/dialog.py", line 150, in _qt_safe if data_format is None else " format " + StringArg.unparse(data_format.nicknames[0]))) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/run.py", line 31, in run results = command.run(text, log=log) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2805, in run result = ci.function(session, **kw_args) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 101, in cmd_open Command(session, registry=registry).run(provider_cmd_text, log=log) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2805, in run result = ci.function(session, **kw_args) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 152, in provider_open name or model_name_from_path(fi.file_name)), provider_kw) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 365, in collated_open return func(*func_args, **func_kw) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core_formats/__init__.py", line 48, in open return open_python_script(session, data, file_name) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/scripting.py", line 82, in open_python_script _exec_python(session, code, argv) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/scripting.py", line 59, in _exec_python exec(code, sandbox.__dict__) File "clip2.py", line 3, in <module> ModuleNotFoundError: No module named 'chimera' ModuleNotFoundError: No module named 'chimera' File "clip2.py", line 3, in See log for complete Python traceback. > open /home/user/MASTERS/Chimera_files/PythonScripts/writeMol2.py Traceback (most recent call last): File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/dialog.py", line 150, in _qt_safe if data_format is None else " format " + StringArg.unparse(data_format.nicknames[0]))) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/run.py", line 31, in run results = command.run(text, log=log) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2805, in run result = ci.function(session, **kw_args) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 101, in cmd_open Command(session, registry=registry).run(provider_cmd_text, log=log) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2805, in run result = ci.function(session, **kw_args) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 152, in provider_open name or model_name_from_path(fi.file_name)), provider_kw) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 365, in collated_open return func(*func_args, **func_kw) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core_formats/__init__.py", line 48, in open return open_python_script(session, data, file_name) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/scripting.py", line 82, in open_python_script _exec_python(session, code, argv) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/scripting.py", line 59, in _exec_python exec(code, sandbox.__dict__) File "writeMol2.py", line 2, in <module> ModuleNotFoundError: No module named 'chimera' ModuleNotFoundError: No module named 'chimera' File "writeMol2.py", line 2, in See log for complete Python traceback. > help help:user > open /home/user/MASTERS/Chimera_files/PythonScripts/clip2.py Traceback (most recent call last): File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/dialog.py", line 150, in _qt_safe if data_format is None else " format " + StringArg.unparse(data_format.nicknames[0]))) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/run.py", line 31, in run results = command.run(text, log=log) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2805, in run result = ci.function(session, **kw_args) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 101, in cmd_open Command(session, registry=registry).run(provider_cmd_text, log=log) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2805, in run result = ci.function(session, **kw_args) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 152, in provider_open name or model_name_from_path(fi.file_name)), provider_kw) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/open_command/cmd.py", line 365, in collated_open return func(*func_args, **func_kw) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core_formats/__init__.py", line 48, in open return open_python_script(session, data, file_name) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/scripting.py", line 82, in open_python_script _exec_python(session, code, argv) File "/usr/lib/ucsf-chimerax/lib/python3.7/site- packages/chimerax/core/scripting.py", line 59, in _exec_python exec(code, sandbox.__dict__) File "clip2.py", line 4, in <module> ImportError: cannot import name 'runCommand' from 'chimerax' (unknown location) ImportError: cannot import name 'runCommand' from 'chimerax' (unknown location) File "clip2.py", line 4, in See log for complete Python traceback. > open /home/user/MASTERS/Chimera_files/PythonScripts/clip2.cxc > open /home/user/MASTERS/Chimera_files/testPDBfiles/Sys1nanopart.pdb > select :wat 157584 atoms, 157584 bonds, 1 model selected > hide sel target a > select ~sel 37869 atoms, 34860 bonds, 1 model selected > surface sel > color (#!1 & sel) white > select ::name="OQL" 2380 atoms, 2520 bonds, 1 model selected > color (#!1 & sel) red > select ::name="ONC" 4200 atoms, 3920 bonds, 1 model selected > color (#!1 & sel) blue > select ::name="NP" 2869 atoms, 1 model selected > color (#!1 & sel) yellow > lighting flat > lighting shadows false > graphics silhouettes false > movie record supersample 3 > clip front -0.5 > wait wait requires a frame count argument unless motion is in progress > movie encode clip.mp4 bitrate 200 Movie encoding failed because no images were recorded. > close session > open /home/user/MASTERS/Chimera_files/PythonScripts/clip2.cxc > open /home/user/MASTERS/Chimera_files/testPDBfiles/Sys1nanopart.pdb > select :wat 157584 atoms, 157584 bonds, 1 model selected > hide sel target a > select ~sel 37869 atoms, 34860 bonds, 1 model selected > surface sel > color (#!1 & sel) white > select ::name="OQL" 2380 atoms, 2520 bonds, 1 model selected > color (#!1 & sel) red > select ::name="ONC" 4200 atoms, 3920 bonds, 1 model selected > color (#!1 & sel) blue > select ::name="NP" 2869 atoms, 1 model selected > color (#!1 & sel) yellow > lighting flat > lighting shadows false > graphics silhouettes false > movie record supersample 3 > clip front -0.5 120 Expected a keyword > close session > open /home/user/MASTERS/Chimera_files/PythonScripts/clip2.cxc > open /home/user/MASTERS/Chimera_files/testPDBfiles/Sys1nanopart.pdb > select :wat 157584 atoms, 157584 bonds, 1 model selected > hide sel target a > select ~sel 37869 atoms, 34860 bonds, 1 model selected > surface sel > color (#!1 & sel) white > select ::name="OQL" 2380 atoms, 2520 bonds, 1 model selected > color (#!1 & sel) red > select ::name="ONC" 4200 atoms, 3920 bonds, 1 model selected > color (#!1 & sel) blue > select ::name="NP" 2869 atoms, 1 model selected > color (#!1 & sel) yellow > lighting flat > lighting shadows false > graphics silhouettes false > windowsize 200 150 > copy file clip.jpg Unknown command: copy file clip.jpg > copy Unknown command: copy > save /home/user/Desktop/image1.png supersample 3 > movie record Already recording a movie > open /home/user/Desktop/gbpmovie.cxc No such file/path: /home/user/Desktop/gbpmovie.cxc > close session > open /home/user/MASTERS/Chimera_files/PythonScripts/clip2.cxc > open /home/user/MASTERS/Chimera_files/testPDBfiles/Sys1nanopart.pdb > select :wat 157584 atoms, 157584 bonds, 1 model selected > hide sel target a > select ~sel 37869 atoms, 34860 bonds, 1 model selected > surface sel > color (#!1 & sel) white > select ::name="OQL" 2380 atoms, 2520 bonds, 1 model selected > color (#!1 & sel) red > select ::name="ONC" 4200 atoms, 3920 bonds, 1 model selected > color (#!1 & sel) blue > select ::name="NP" 2869 atoms, 1 model selected > color (#!1 & sel) yellow > lighting flat > lighting shadows false > graphics silhouettes false > movie record supersample 3 Already recording a movie > movie stop > movie record supersample 3 > movie stop > movie stop Not currently recording > close session > open /home/user/MASTERS/Chimera_files/PythonScripts/clip2.cxc > open /home/user/MASTERS/Chimera_files/testPDBfiles/Sys1nanopart.pdb > select :wat 157584 atoms, 157584 bonds, 1 model selected > hide sel target a > select ~sel 37869 atoms, 34860 bonds, 1 model selected > surface sel > color (#!1 & sel) white > select ::name="OQL" 2380 atoms, 2520 bonds, 1 model selected > color (#!1 & sel) red > select ::name="ONC" 4200 atoms, 3920 bonds, 1 model selected > color (#!1 & sel) blue > select ::name="NP" 2869 atoms, 1 model selected > color (#!1 & sel) yellow > lighting flat > lighting shadows false > graphics silhouettes false > movie record supersample 3 > clip front -0.5 120 ; wait 120 ; movie encode clip.mp4 bitrate 200 Expected a keyword > help help:contact.html OpenGL version: 3.3.0 NVIDIA 440.100 OpenGL renderer: GeForce RTX 2060/PCIe/SSE2 OpenGL vendor: NVIDIA Corporation Manufacturer: Micro-Star International Co., Ltd. Model: GL63 8SE OS: Ubuntu 18.04 bionic Architecture: 64bit ELF CPU: 12 Intel(R) Core(TM) i7-8750H CPU @ 2.20GHz Cache Size: 9216 KB Memory: total used free shared buff/cache available Mem: 31G 6.1G 18G 662M 6.6G 24G Swap: 2.0G 0B 2.0G Graphics: 00:02.0 VGA compatible controller [0300]: Intel Corporation Device [8086:3e9b] Subsystem: Micro-Star International Co., Ltd. [MSI] Device [1462:126a] Kernel driver in use: i915 PyQt version: 5.12.3 Compiled Qt version: 5.12.4 Runtime Qt version: 5.12.8 File attachment: clip2.cxc

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chimerax label bug
by Lukas Kater 26 Jun '20

26 Jun '20

Hi ChimeraX developers, I have been tryinng to use 2dlabel to annotate some things in a movie. I have stumbled accross a number of problems: 1) creating 2 labels with the same name causes a crasH: 2dlab create ADP text "ADP state" color black size 26 bold true xpos 0.03 ypos 0.92 visibility false 2dlab create ADP text "ADP state" color black size 26 bold true xpos 0.03 ypos 0.92 visibility false

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Local resolution legend
by Tetter Stephan 25 Jun '20

25 Jun '20

Dear ChimeraX Users and Developers, I manage to color my cryoEM maps by local resolution, but can't figure out how to display a scale bar of the color code. Any ideas? Or do I have to go back to Chimera for this? Thanks, Stephan

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Morph cryoEM maps result
by Aritz Roa Eguiara 25 Jun '20

25 Jun '20

Dear ChimeraX team, This is probably a previously discussed topic but I have not managed to find it specifically anywhere. So I am trying to morph a couple of maps on ChimeraX using the volume morph command, but I do not get any slider as it happens with the atom model morphing (as far as I understand there is not option for that?) Also, once I do it I get a model that is called morph that if I run the movie is recorded but I cannot bounce or control any further, is it like a one time use command that then only leaves that model result of the last frame that cannot be used anymore? Best regards, Aritz

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