- Chimera-users - RBVI Mailing Lists

Re: [Chimera-users] On the seeking of the orthologs
by James Starlight 25 May '15

25 May '15

Elaine, George, thank you very much for the suggestions and ideas!! One question- do you know some DB where is possible to seek for the orthologs (e,g based on HMM) agains *several* target sequences with flexible options like to detect minimal percent of the homology for orthologs which to be found or alternatively to make such search based on some *shared* features between those targets (e.g common structural motifs responsible for ligand binding etc) which might be specified by user initially? George, the idea to focus on particular specie seems interesting- initially I've thought in the same way but to focus on the human OR (because here I'm more comfortable with dynamical range patterns of those receptors based on the in vivo Matsunami data for instance). BTW briefly have a look on those DB I didn't find there engine to seek for the orthologs agains given target. Doest this option really exist within it? All the best, James 2015-05-22 21:10 GMT+02:00 George Tzotzos <gtzotzos(a)me.com>: > I would start from BioMart. I’m also working on OR (albeit insect ones). Try also MGI (Mouse Genome Informatics). Starting from mouse Ors you can scoop orthologs in other mammalian species. > > Cheers > > George > >> On 22 May 2015, at 18:44, Elaine Meng <meng(a)cgl.ucsf.edu> wrote: >> >> Hi James, >> Your questions are more about bioinformatics project design rather than Chimera use. >> >> Chimera provides basic BLAST searching of NCBI’s “nr” and “pdb” sequence databases, but these are the same databases generally used by BLAST whether you use it from Chimera or from another program, or stand-alone. Also, Chimera can fetch specific individual sequences from UniProt based on UniProt identifier, but that isn’t searching, it is just getting data you already knew you wanted. >> >> I believe NCBI’s “nr” and UniProtKB are both meant to be comprehensive (cover “all” sequences) but in their own ways, and you would have to go to those resources or their publications to learn the details. There are probably also specialized GPCR and/or olfactory receptor sequence databases. Then there are multiple ways of searching, with individual sequences or with derived patterns such as hidden Markov Models (HMMs). This is a really broad topic and in my opinion, beyond the scope of this forum. You’ve probably done some of this already, but I would recommend reading similar studies in quality journals by authors you respect, to see how they have designed their projects. >> >> Chimera doesn’t have HMM-related tools or evolutionary trace, it just allows conservation analysis on your whole alignment, or subsets of that alignment opened in separate windows. >> >> I hope this helps, >> Elaine >> ----- >> Elaine C. Meng, Ph.D. >> UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab >> Department of Pharmaceutical Chemistry >> University of California, San Francisco >> >> On May 22, 2015, at 9:22 AM, James Starlight <jmsstarlight(a)gmail.com> wrote: >> >>> Dear Chimera users! >>> >>> I'd like to ask some suggestion regarding my bioinformatician task and >>> possible ways of its realisation using some bioinformatics methods >>> implemented in Chimera. >>> >>> 1)I need to seek for some sequence database (here I don't know >>> absolutely how to do it) of the olfactory receptors and to select 10 >>> sequences of the Ors corresponded to 10 different mammalian species -> >>> according to my idea it should be very different species associated >>> with different ecological niches so its olfactory spectrum should vary >>> dramatically. >>> Here the question: in what DB such search should be better with the >>> inclusion of flexible search criteria's like what I've listened above? >>> >>> 2)After allocating of those 10 sequences I should to find *all* >>> possible orthologs against them-> to find all OR in another species >>> which have conservation degree agains target above chosen threshold . >>> Eventually I'll need to make some analysis regarding overall >>> conservation of the OR within different species and to point out what >>> OR are most important (conservative) in different organisms in >>> accordance to some pre-defined criteria's (i.e ecological niche of the >>> species because it's associated with the odor spectrum). Here the >>> question: would the methods like blast-search be enough for such task >>> or I should to use also methods like evolutional tracing (to find all >>> important residues in different OR which tend to co-evaluate) based on >>> its alignment data? >>> >>> I would be very thankful for any suggestion! >>> >>> James >> >> >> _______________________________________________ >> Chimera-users mailing list >> Chimera-users(a)cgl.ucsf.edu >> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users >

1 0

On the seeking of the orthologs
by James Starlight 22 May '15

22 May '15

Dear Chimera users! I'd like to ask some suggestion regarding my bioinformatician task and possible ways of its realisation using some bioinformatics methods implemented in Chimera. 1)I need to seek for some sequence database (here I don't know absolutely how to do it) of the olfactory receptors and to select 10 sequences of the Ors corresponded to 10 different mammalian species -> according to my idea it should be very different species associated with different ecological niches so its olfactory spectrum should vary dramatically. Here the question: in what DB such search should be better with the inclusion of flexible search criteria's like what I've listened above? 2)After allocating of those 10 sequences I should to find *all* possible orthologs against them-> to find all OR in another species which have conservation degree agains target above chosen threshold . Eventually I'll need to make some analysis regarding overall conservation of the OR within different species and to point out what OR are most important (conservative) in different organisms in accordance to some pre-defined criteria's (i.e ecological niche of the species because it's associated with the odor spectrum). Here the question: would the methods like blast-search be enough for such task or I should to use also methods like evolutional tracing (to find all important residues in different OR which tend to co-evaluate) based on its alignment data? I would be very thankful for any suggestion! James

2 1

clustering
by Rafael Rocha 22 May '15

22 May '15

hello, I have a set of ligands that share Some atoms in common. How I can clustering only those atoms? Also, how I can change the variation of RMSD for this cluster analysis in the "ensemble cluster" tool of chimera? Thanks, Rafael.

2 2

chimera improvment suggestion
by Michał Kadlof 21 May '15

21 May '15

I have small improvement suggestion: Is it possible to display directories in Open File dialog with different font than files, for example bold? I'm loosing a lot of time on scrolling my directories tree to find particular file to open. Highlighting of directories would be very handy. -- best Michał

2 1

Re: [Chimera-users] How can I calculate RMSD with chimera script
by Eric Pettersen 19 May '15

19 May '15

Since runCommand() doesn't return any value, you need to call the underlying Python rmsd() function, which isn't hard to do. Somewhere at the top of your script put: from Midas import rmsd and then replace: rc("rmsd #0:{0}-{1} #1:{0}-{1}".format(s,k)) with: val = rmsd("#0:{0}-{1}".format(s,k), "#1:{0}-{1}".format(s,k)) --Eric On May 19, 2015, at 12:45 PM, Michał Kadlof <ramidas(a)gmail.com> wrote: > Yes it work, but then I have to write and run another script to parse output from chimera which cost HDD access time. I was wonder, if it possible to do it in single script without dumping output to separate file. > > -- > Michał > > 2015-05-19 18:53 GMT+02:00 Eric Pettersen <pett(a)cgl.ucsf.edu>: > Hi Michał, > Redirecting output from a program into a file is pretty easy in any Unix/Linux shell. This would redirect Chimera's non-error output into a file named "chimera-output.txt": > > chimera chimera-arguments-you-normally-use > chimera-output.txt > > You can also redirect the error output, but the syntax for that depends on the shell you are using. You should be able to easily Google it if you need to do that. > > --Eric > > Eric Pettersen > UCSF Computer Graphics Lab > http://www.cgl.ucsf.edu > > On May 19, 2015, at 1:16 AM, Michał Kadlof <ramidas(a)gmail.com> wrote: > >> Hello, >> >> I have a need of calculating about 1000 of RMSDs between two particular regions of reference model and testing model. I would like to do this with chimera script. I'm using chimera-1.10.1-Headless Linux 64-bit and have no access to any GUI. >> >> Currently my script looks like this: >> >> import sys, os, re >> from chimera import runCommand as rc >> >> << not important stuff >> >> >> rc("open %s" % (native)) >> for i in models: >> rc("open " + i) >> rc("rmsd #0:{0}-{1} #1:{0}-{1}".format(s,k)) >> rc("close #1") >> rc("close all") >> rc("stop now") >> >> This allow me to see output on the screen, but I don't know how to capture it for further processing. I found somewhere something like this: >> >> from chimera.tkgui import saveReplyLog >> << do something >> >> saveReplyLog('replyLog.txt') >> >> But it seem to work only in versions with GUI. >> >> Please help. >> >> -- >> best whishes >> Michał Kadlof >> >> University of Warsaw >> _______________________________________________ >> Chimera-users mailing list >> Chimera-users(a)cgl.ucsf.edu >> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users > > > >

2 1

Load AMBER parm/traj from command line.
by ros 19 May '15

19 May '15

Hello! Is it possible to start up chimera and have it load an AMBER topology and trajectory file? For example, in Linux, you can start VMD with: vmd -parm7 name.prmtop -netcdf traj.nc And will load the topology with the corresponding trajectory frames. In chimera we do that using the 'Get Ensemble info' window in the MD movie tools. Is it possible to do it in a single line? Thank you! Rodrigo.

2 2

How can I calculate RMSD with chimera script
by Michał Kadlof 19 May '15

19 May '15

Hello, I have a need of calculating about 1000 of RMSDs between two particular regions of reference model and testing model. I would like to do this with chimera script. I'm using chimera-1.10.1-Headless Linux 64-bit and have no access to any GUI. Currently my script looks like this: import sys, os, re from chimera import runCommand as rc << not important stuff >> rc("open %s" % (native)) for i in models: rc("open " + i) rc("rmsd #0:{0}-{1} #1:{0}-{1}".format(s,k)) rc("close #1") rc("close all") rc("stop now") This allow me to see output on the screen, but I don't know how to capture it for further processing. I found somewhere something like this: from chimera.tkgui import saveReplyLog << do something >> saveReplyLog('replyLog.txt') But it seem to work only in versions with GUI. Please help. -- best whishes Michał Kadlof University of Warsaw

2 1

depth cue by color for tomogram
by Michael Elbaum 18 May '15

18 May '15

Hello all, I noticed a new sort of 3D color glasses (http://chromatek.com/) that work via blue-red chromatic aberration rather than shifted pairs. I think this would be a useful addition if it isn't available already somehow. The major advantage for a lecture situation is that 2D images are visible also without glasses. I tried to encode depth by color in Chimera but was not successful. I'm using solid style with transparency to see "into" the tomogram, loaded in Volume Viewer. I'd like the deep features to be in one color and the higher parts another, with sparse regions relatively transparent. In the main Viewing panel there's an option for depth cue on the Effects tab, but the cueing is relative to the Side View orientation rather than the real depth. Also there seems to be no option for a color gradient. thanks for any help, Michael Prof Michael Elbaum Dept of Materials and Interfaces Weizmann Institute of Science Rehovot 76100, ISRAEL tel +972 (0)8-9343537 fax +972 (0)8-9344138

3 5

Select multiscale model surface pieces with command lines
by TUBIANA Thibault CNRS 18 May '15

18 May '15

Hi everyone! I Want to script a movie, but to do so, I need to select some surface pieces of a virus multiscale model with command line. I didn't find any way to do that. I try to select them with the mouse (ctrl+click) and then rename the selection with "namesel", it works but when I save the session and reload it, theses selections are cleared.... I can't do that each times I load my session because I have plenty of them and it's to generate the movie on SSH on another computer more powerfull... I can't split them to create a new model (for exemple with coordinates) because I will have to update all my "savepos" position... Did someone know how to do that ? Thank you a lot for your help, Regards, -- Tubiana Thibault PhD Student Institut de Biologie Intégrative de la Cellule CNRS UMR 9198 CEA-Saclay, Bâtiment 532 - Pce 12A 91191 Gif-sur-Yvette 06.79.90.95.85 http://www.tubiana.me

2 1

Problem running Chimera remotely on CentOS7 system
by "Kestilä, Veli-Pekka" 12 May '15

12 May '15

Hi, I have following error when trying to run Chimera remotely on CentOS7 system from OSX this seems to affect also Windows with Xming libGL error: dlopen /usr/lib64/dri/swrast_dri.so failed (/opt/sci/UCSF-Chimera64-1.10.1/lib/libgcc_s.so.1: version `GCC_4.7.0' not found (required by /usr/lib64/dri/swrast_dri.so)) libGL error: unable to load driver: swrast_dri.so libGL error: failed to load driver: swrast X Error of failed request: GLXBadContextTag Major opcode of failed request: 150 (GLX) Minor opcode of failed request: 5 (X_GLXMakeCurrent) Serial number of failed request: 1359 Current serial number in output stream: 1359 On windows the error is: ibGL error: dlopen /usr/lib64/dri/swrast_dri.so failed (/opt/sci/UCSF-Chimera64-1.10.1/lib/libgcc_s.so.1: version `GCC_4.7.0' not found (required by /usr/lib64/dri/swrast_dri.so)) libGL error: unable to load driver: swrast_dri.so libGL error: failed to load driver: swrast X Error of failed request: GLXBadCurrentWindow Major opcode of failed request: 145 (GLX) Minor opcode of failed request: 5 (X_GLXMakeCurrent) Serial number of failed request: 1350 Current serial number in output stream: 1350 How I can get this to work? Intended use would be in classroom where we don't have permissions to run or install Chimera. Greetings, Veli-Pekka Kestilä -- Veli-Pekka Kestilä / Huone 4318 / Biokeskus 3 (Viikinkaari 1) / 050-3000014

2 1

Acylation of peptide
by Remmer Salas 08 May '15

08 May '15

Hi! I am new to Chimera and I am trying to modify the PDB file of a peptide by acylation. I have also a PDB file for the fatty acid which I got by removing the bound protein. I used the join models to form a peptide bond but prompted with this error: The following problems occurred while reading PDB file for anomt1.pdbStart residue of secondary structure not found: HELIX 1 1 LEU 2 LEU 10 1 8Model 1 (anomt1.pdb) appears to be a protein without secondary structure assignments.Automatically computing assignments using 'ksdssp' and parameter values: energy cutoff -0.5 minimum helix length 3 minimum strand length 3Use command 'help ksdssp' for more information.TypeError Exception in Tk callback Function: <bound method BuildStructureDialog._addParamBond of <BuildStructure.gui.BuildStructureDialog object at 0x04F9FBF0>> (type: <type 'instancemethod'>) Args: ()Traceback (innermost last): File "C:\Program Files\Chimera 1.10.1\bin\lib\site-packages\Pmw\Pmw_1_3_3\lib\PmwBase.py", line 1747, in __call__ return apply(self.func, args) File "C:\Program Files\Chimera 1.10.1\share\BuildStructure\gui.py", line 313, in _addParamBond self._appbDihedral.get(), phi=self._appbPhi.get()) File "C:\Program Files\Chimera 1.10.1\share\BuildStructure\__init__.py", line 869, in cnPeptideBond cn[1].residue.phi = phi File "C:\Program Files\Chimera 1.10.1\share\chimera\phipsi.py", line 91, in setPhi _setAngle(bond, phi, getPhi(res), "phi") File "C:\Program Files\Chimera 1.10.1\share\chimera\phipsi.py", line 134, in _setAngle br.angle = (newAngle - curAngle, br.biggerSide())TypeError: unsupported operand type(s) for -: 'float' and 'NoneType' TypeError: unsupported operand type(s) for -: 'float' and 'NoneType' File "C:\Program Files\Chimera 1.10.1\share\chimera\phipsi.py", line 134, in _setAngle br.angle = (newAngle - curAngle, br.biggerSide()) My first question is how to solve this error. Second, how can I optimize the generated PDB file using Chimera? I want also to convert this optimize PDB file to PQR. Any advice is greatly appreciated.

2 2

clip planes
by Bharat Lakhani 08 May '15

08 May '15

Dear All I want to visualize the core of my protein, Is it possible to slice the protein right into two half in order to visualize the core of the protein. I tried using chimera pre-capping model but it has not been work out well. Any suggestion on this would be great. Thanks

4 3

Coloring selected residues based on B-factor
by Mahendra B Thapa 07 May '15

07 May '15

Dear Chimera users, While using Chimera to study a protein with 511 residues, I colored residues 1- 274 'dark grey', residues 274-417 'tan' and residues 418-511 'dark khaki'. I want to color residues, say, 313,350,412,415,485,503, from blue to red with an increasing order of B-factors, say respective B-factors are 40,13,2,21,33,6 without altering the color of other residues. I manually put these B-factors values for the corresponding residues; rest residues have no b-factor values as the structure is obtained from a simulation. I tried some unsuccessful attempts visiting some previous posts (sorry if I missed such posts close to my query). Any comments and suggestions might help me. Thank you, Mahendra Thapa University of Cincinnati,OH

2 1

aborting a volume command
by Dougherty, Matthew T 07 May '15

07 May '15

I issued this command, which works correctly. volume #2 planes z,1,100,1,10 I try to abort it around slice 50 using freeze, which does not terminate. Is there a way to abort it? Matthew Dougherty National Center for Macromolecular Imaging Baylor College of Medicine ===========================================================================

2 1

Displaying and calculating protein surface enclosed pockets
by Matthias Fellner 07 May '15

07 May '15

Good day I am a PhD student at the University of Otago New Zealand. First I would like to thank you for this very useful software, I use it for all my protein crystallography pictures and a lot of analysis as well, I always cite your citation for sure when I publish using your software. Normally I get very far with your tutorials but this time I failed to achieve my goal and I wanted to write a direct question. I have a protein with an active site pocket. I can display the surface of the protein and then I see the pocket inside but I am really interested in the enclosed surface = the active site pocket. How can I display the "negative" (enclosed) surface area and possibly calculate its volume. Can this be done with the pdb file or is such an analysis only possible based on the electron density. I learned how to manipulate the density map in chimera, so if this is the only way I should also be able to do it if you explain the details. If I get this done I wanted to ask if there is a way to ignore water molecules from the displaying of surfaces and later calculations or if I should simply work with a pdb which has the waters removed. Thank you Matthias Fellner

4 5

listen selection command
by Mungo Carstairs (Staff) 07 May '15

07 May '15

Hi, I am trying out a REST listener for selections in Chimera and need help. I can talk to Chimera over REST. I can start an Http listener in Jalview - and verify it in my browser. I have sent this command to Chimera: listen start selection rest http://134.36.162.131:64745/ Then silence. I haven't managed to provoke Chimera into sending me a SelectionChanged notification. I am making selections in the Chimera window - as I can see by the 'Inspect Selection' panel. I have also started Chimera standalone (no REST service) and tried the listen command in the command line, but yet to see any output on a selection. What have I missed or how can I diagnose what I am doing wrong here? Thanks, Mungo Carstairs Jalview Computational Scientist The Barton Group Division of Computational Biology College 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/> The University of Dundee is a registered Scottish Charity, No: SC015096

3 5

Re: [Chimera-users] [chimera-dev] VolumeEraser
by Tom Goddard 06 May '15

06 May '15

Hi Alex, Surfnet in Chimera does not produce a volume, only surfaces. It calculates the volume but then computes surfaces and deletes the volume. If you would to measure the enclosed volume of the disconnected pieces produced by surfnet, first make those pieces independently selectable with command sop split #0 where #0 is the id for the surfnet model (use Favorites / Model Panel to find the correct id number). Then select the piece of interest (ctrl click on it), then get its enclosed volume with command measure volume sel To type commands to Chimera use menu Favorites / Command Line. This question belongs on the chimera-users mailing list, not the chimera-dev list which is for programming issues. Tom > On May 6, 2015, at 8:18 AM, Alex wrote: > > Dear Sirs, > I recently started using chimera, please apologise my lack of knowledge. > In order to erase a surfnet volume I am trying to use the Erase volume module, but it doesn't work. Are the surfnet objects available to be used in VolumeEraser functions? Is there another way to study volume intersections? > If you know, please point out the article which describes the procedure for this kind of volume calculation. > > Best regards, > Alex > _______________________________________________ > Chimera-dev mailing list > Chimera-dev(a)cgl.ucsf.edu <mailto:Chimera-dev@cgl.ucsf.edu> > http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-dev <http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-dev>

1 0

PC shut down automatically while using Chimera
by kzhang＠mrc-lmb.cam.ac.uk 06 May '15

06 May '15

Dear Chimera Developers, Recently, I found something really annoying when I was using Chimera. The problem is that when I use chimera to display CryoEM maps(400X400X400, 32 bits), my computer shut down automatically. I don't think there's something wrong with the hardware and coot or pymol is fine. This is not just an accident. It happened quite a few times, especially when I suddenly zoom in, computer is suddenly shut down. Later there would be some error massage related to the instability of the power, CPU self protection "£$%^&# ... when I turned on the computer again. But I don't think there is anything wrong with the power as well, I've run other softwares without any problem. Also, it happens to both Window 7 and CentOS 6.5 in the same PC. So it's obviously hardware level issue related to Chimera. My guess is that there might be something in Chimera that activated the self-protection of CPU or similar things. Any ideas why this occurs and how can I solve it? Best wishes Kai

3 2

imod
by Dougherty, Matthew T 04 May '15

04 May '15

I have recently been getting some imod segmentation files and have been noticing three problems 1) when I read the MRC and imod files I am having a scaling problem, and the datasets do not integrate. For example, if the MRC voxel size is 31.22 31.22 31.22, and the origin index is 0 -114 0, I have to change the the voxel size to 3.122 3.122 3.122 , and the origin index to 0 0 0 so that graphics match correctly. Since there are number of people in the data chain before it gets to me, I thought it might check to determine if this is known problem before going upstream to unknown people to figure out if they are getting the imod output settings correct. 2) The graphics performance with imod segmentation files is sluggish in chimera, not sure what it is in imod. I assume that the format defines the vertices at the highest resolution corresponding with the MRC file. Is there a way to improve the performance on the chimera side? I am not using contouring, just reading the file in default mode. 3) The segmentation has a lot of components, such as vesicles and microtubules, that have different colors. Is there a way to break apart the components so they can be manipulated seperately? E.g., display/hide, change colors, translate and rotate. Matthew Dougherty National Center for Macromolecular Imaging Baylor College of Medicine ===========================================================================

2 2

running script + recording movie
by Dmitry 04 May '15

04 May '15

Dear colleagues, Does anybody know how to run the script in chimera - *.cmd (from windows) and in the same time record everything that script does as a movie? Sincerely, Dmitry

2 1

chimera meeting tomorrow
by Greg Couch 29 Apr '15

29 Apr '15

The agenda is available in advance! Thank you Conrad! Conrad says "feel free to add items" :-) https://plato.cgl.ucsf.edu/trac/chimera2/wiki/2015-4-30

1 1

Auto dock Vina Increasing Exhaustiveness
by Tunc Morova 29 Apr '15

29 Apr '15

Hello! I am using UCSF Chimera, Autodock Vina extension for obtaining conformations of my protein and ligand. In this interface, As you know, I can change the exhaustiveness value between 1-8. However, since my system is more than 30x30x30 A, I need to get my exhaustiveness value more than 8 for getting more accurate results. But I can’t make it more than 8 through Auto dock Vina interface in Chimera. How can I increase this exhaustiveness value ? Btw, Instead of using Opal web service, I am using vina locally. Thank you many times for your help Best Regards Tunc Morova

2 1

Converting sdf file into mol2 format
by Mahendra B Thapa 29 Apr '15

29 Apr '15

Dear Chimera users, I am trying to convert sdf file ( downloaded from* diversity set* data from 'http://scs.illinois.edu/htsf/compound_collection/nci.php') into mol2 format. When I ran the command chimera --nogui processSDF.py as given the previous posting ( http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-March/004974.html) I got the following error messages: Cannot find consistent set of bond orders for ring system containing atom #0.73:1@N1 --- Unknown redo atom type: N3 Traceback (most recent call last): Any suggestions for correcting these errors will be a good help for me. Thank you, Mahendra Thapa University of Cincinnati,OH

3 2

Create an artificial bond between ribbons for 3D printing
by David Bhella 28 Apr '15

28 Apr '15

Dear Chimera users, I am trying to prepare a ribbon diagram for 3D printing. As the molecule is a trimer, I would like to create a join between the ribbons such that the model is sent to the printer as a single part. So, I thought that I might be able to create a bond, but I suspect that the current tools may not be able to achieve this. Ideally I don’t want to have to show side chains, moreover the bond needs to be preserved when exported as STL format and finally it will be quite long. The only tool that would seem to come close to my requirement is the distance measure, however I can’t see how to convert that pseudo bond to a cylinder that will be exported. Any suggestions would be gratefully received. Thanks, D. Dr David Bhella MRC-University of Glasgow Centre for Virus Research Garscube Campus 464 Bearsden Road Glasgow G61 1QH Scotland (UK) Telephone: 0141-330-3685 Skype: d.bhella Virus structure group on Facebook: https://www.facebook.com/CVRstructure Molecular Machines - Images from Virus Research: http://www.molecularmachines.org.uk CVR website: http://www.cvr.ac.uk CVR on Facebook: https://www.facebook.com/centreforvirusresearch

3 3

Delete Bug?
by Korbin West 27 Apr '15

27 Apr '15

Hi all, I'm running some code on Chimera to select only certain chains and nearby aspects, but when I try to delete the extraneous information, Chimera freezes up. I'll detail the commands I use below, and for reference I'm interested in the H chain of 1CT1, but it doesn't seem to work with any of its chains. open 1CT1 zonesel :.h 3.5 extend true select invert del sel It then freezes on del sel. I've tried this with other pdb files and it works fine, but for some reason it stops on this one. For example, it works fine on 1PZ3 for its A and B chains. Is this some kind of bug or is there a work-around to this issue? We looked at the residues and couldn't find anything out of place, so we are not sure what is happening. Much thanks in advance. Best, Korbin West? Wabash College

3 3