- Chimera-users - RBVI Mailing Lists

Higher Order
by hsosa＠aecom.yu.edu 11 Jan '09

11 Jan '09

I have another related question: If I were to deposit a PDB coordinates file of a helical structure, what would be the best place to put helical symmetry information (the file includes the full coordinates for only one asymmetric unit) so that chimera can generate a model with more than one asymmetric unit ?. The idea being to be able to see the contacts between asymmetric units and the symmetry of the complex. Should I use the the SMTRY, or the MTRIX entries ?. Does it make any difference in chimera ?. Thanks Hernando . -- ----------------------------------- Hernando Sosa Dept. of Physiology and Biophysics Albert Einstein College of Medicine 1300 Morris Park Av. Bronx NY 10461 phone (718) 430-3456 FAX (718) 430-8819 email hsosa(a)aecom.yu.edu -----------------------------------

2 1

Higher order
by hsosa＠aecom.yu.edu 11 Jan '09

11 Jan '09

Hi, Is it possible to use the tools in: Higher Order Structures > Multiscale Models to generate full atomic models (with atoms and all the display capabilities of chimera) from the symmetry entries in the PDB file (SMTRY entries) ? So far I been able to produce only a rough surface representation of the symmetry related molecules. Thanks Hernando -- ----------------------------------- Hernando Sosa Dept. of Physiology and Biophysics Albert Einstein College of Medicine 1300 Morris Park Av. Bronx NY 10461 phone (718) 430-3456 FAX (718) 430-8819 email hsosa(a)aecom.yu.edu -----------------------------------

2 1

Re: [Chimera-users] delphi
by Elaine Meng 08 Jan '09

08 Jan '09

Hi everybody, I'm happy to report that Chimera (version 1.4 builds Jan 8, 2009 and later) can now read electrostatic potential maps from the Intel Mac version of DelPhi provided by the Honig lab as of mid-2008: <http://wiki.c2b2.columbia.edu/honiglab_public/index.php/ Software:DelPhi_System_Requirements> The problem was that part of the potential file was written in double precision. Their group may be updating that executable so that it does not write double precision, but either way, the newer builds of Chimera will be able to read the maps. This does not solve the problem Darren was having, I assume using a PPC Mac rather than an Intel Mac. The PPC Mac version of DelPhi from the Honig lab still requires certain library files that I don't think are freely available. The Honig web site (URL above) does mention this issue. Best, Elaine ----- Elaine C. Meng, Ph.D. meng(a)cgl.ucsf.edu UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On Dec 30, 2008, at 4:55 PM, Elaine Meng wrote: > Hi Darren, > Unfortunately it is an unsolved problem getting a pre-made delphi > executable for Mac OSX that gives results that can be shown in > Chimera. Just to clarify for everybody, DelPhi is a program freely > provided by another group, but without official support. > > I went through several weeks of trying to get an older executable from > the Honig site to work, installing various files myself just as you > have. Here is the chimera-users message where I describe running up > against this wall: > <http://www.cgl.ucsf.edu/pipermail/chimera-users/2006-November/ > 001113.html >> > > I reported these problems to the Honig group, and some months later > (July 2008) they updated their Mac OSX Intel executable so it does not > require these additional libraries. Maybe you downloaded an > executable before that time or have a PPC Mac rather than Intel. > Honig group DelPhi download page: > <http://wiki.c2b2.columbia.edu/honiglab_public/index.php/ > Software:DelPhi_System_Requirements >> > > However, although the Intel executable runs nicely and can be > controlled by DelPhiController, something about the map format changed > and Chimera cannot read the result. We were unable to get information > from the Honig lab on how the format changed, or even reverse-engineer > the changes given our example maps. There is nothing else we can do - > it is a limitation recorded in our database as problem report #6228.

1 0

question about measuring volume via command line and the nogui option
by Bruno Villoutreix 07 Jan '09

07 Jan '09

Dear Chimera Users i am new to chimera, is it possible using something like: chimera --nogui open myfile.mol2 and then i would like to measure the area and volume...but i am not sure which command to use. I can get the surface with this command but to get the volume, i have to use the graphic interface, i do not see either the name of the command in the command history list... thanks if you can give me some advices Bruno

2 1

problem with new release
by Lionel Nauton 06 Jan '09

06 Jan '09

hi all, I don't know if everyone else have this problem, but i 'm not able to use the last release of chimera (chimera-1.3.2577-linux.exe <https://www.cgl.ucsf.edu/cgi-bin/chimera-get.py?file=linux/chimera-1.3.2577…>) installation script works well, but when I try to start the program, i have a black screen , and my session shutdown and restart, it seems that chimera fall down my Xorg. I'm working on PC linux ( X86_64), but i used the 32 bits version of chimera, ( test with X86_64 version give the same result), my pc linux work with fedora 10 , i have no problem with chimera-1.3.2540-linux.exe thanks per advance for your answer ================================================= NAUTON Lionel Ingénieur d'études. Laboratoire de Synthèse Et Etude de Systèmes à Intérêt Biologique UMR6504 : université Blaise Pascal – CNRS 24, avenue des Landais – Campus des Cézeaux 63177 AUBIERE Cedex France Tel : 04 73 40 55 06 mèl : lionel.nauton(a)univ-bpclermont.fr <mailto:lionel.nauton@univ-bpclermont.fr> site web : http://seesib.univ-bpclermont.fr/site_web/pageaccueil.htm <http://seesib.univ-bpclermont.fr/site_web/pageaccueil.html> =================================================

2 1

delphi
by Darren Thompson 05 Jan '09

05 Jan '09

I installed the ibm compiler libraries on Mac OSX tiger, but delphi still does not see them Applications System Folder mach.sym Applications (Mac OS 9) TheVolumeSettingsFolder mach_kernel Desktop (Mac OS 9) Trash opt Desktop DB Users private Desktop DF Volumes sbin Desktop Folder automount sw Developer bin tmp Documents cores usr Library dev var Network etc System mach the opt folder (ibm) is there. I did a symbolic link to the Mac OSX executable in the /usr/local/ release1.1/exe directory to /usr/bin/delphi, downloaded the example files from delphi's website, [psb-232-45:release1.1/examples/example_1] darren% delphi param_1 dyld: Library not loaded: /opt/ibmcmp/lib/libxlf90.dylib Referenced from: /usr/bin/delphi Reason: image not found Trace/BPT trap when I try directly [psb-232-45:local/release1.1/exe] darren% ./delphiMacOSX dyld: Library not loaded: /opt/ibmcmp/lib/libxlf90.dylib Referenced from: /usr/local/release1.1/exe/./delphiMacOSX Reason: image not found Trace/BPT trap Does it matter that it's looking for /libxlf90.dylib and I have / libxlf90.A.dylib? Have some xmas charity Help a newb Darren Thompson Graduate Student UCSC 1156 High St. Santa Cruz, CA 95064 831-459-3390 voice 831-459-2395 fax http://people.ucsc.edu/~ministry

2 2

Motivational Posters, Demotivators
by Breann Crenshaw 02 Jan '09

02 Jan '09

Rofl Motivational Posters http://www.roflposters.com

1 0

Re: [Chimera-users] Chimera - calculating surface area?
by Elaine Meng 29 Dec '08

29 Dec '08

On Dec 29, 2008, at 8:54 AM, Uli Strych wrote: > Hi Dr. Meng, > I would like to calculate the surface exposed area of only the > hydrophobic amino acid residues for my protein of interest. > I saw your email (at > http://www.ccl.net/cgi-bin/ccl/message-new?2008+03+07+013+raw ) where > you explain how to do so using Chimera. > My problem is the "Attribute Calculator" step, where I don't seem to > be able to find the correct format of entering the formula to > calculate the surface area of the residues that I have previously > selected in the Render/Select menu. Hi Uli, Another necessary step is to show the surface (which creates the surface area values): command "surface" or menu "Actions... Surface... show". You could do that for the whole protein before selecting the residues, or just for the selected residues, either way is fine. That will assign values for the residue attributes named areaSES (solvent-excluded surface area) and areaSAS (solvent- accessible surface area). Then in "Attribute Calculator" you would Calculate attribute [some name, doesn't matter] for [models] Formula: sum(residue.areaSES) with these options checked on: "Restrict formula domain to current selection, if any" (only sum over the selected residues, not all residues) "Open Render/Select by Attribute" (because this dialog will show the answer, the sum value) You want a "models" attribute because you want only one number, the sum over the selected residues. Click Apply (or OK, which would also dismiss the calculator dialog) to calculate the value and show it in the Render/Select by Attribute dialog. Of course, you could use areaSAS instead of areaSES as you prefer. The SES is probe contact and re-entrant surface, and is shown in Chimera. The SAS is where the probe center goes, about 1.4 Angstrom farther out from the molecule, not shown in Chimera. Attribute Calculator manual page: <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/calculator/calcula… > This tool is also used in the Attributes tutorial, part 2: <http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/attributes.html#p… > I hope this helps! Best regards, Elaine ----- Elaine C. Meng, Ph.D. meng(a)cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html

1 0

transparent background error
by odonnell＠chem.fsu.edu 23 Dec '08

23 Dec '08

Hi, I can't find a previous entry in the archives for an error message i receive when i impose a transparent background. As soon as i read in a map i receive this: Runtime error! ProgramC:\Program Files (x86)\Chimera\bin\pythonw.ese R6025 -pure virutal function call Hitting OK I receive... Chimera failed abnormally; the exit code was:255. Thanks in advance for any advice!!!! -Jason ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program. -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.

2 1

Still having connection problems with Internet...
by Kenward Vaughan 23 Dec '08

23 Dec '08

Hi all, I wrote in once about this, and have only slowly paid attention to it due to busy schedules, kids, etc. I have build # 2576, and the darned thing pesters me for registration ;-) and still cannot connect for DL'ing PDB's from the data bank. I have no proxy server, and this issue did not exist in earlier versions (I'm uncertain how long ago, to be honest... within a year, I believe). The usual error notice shows up on attempted registration, and fetch attempts give a socket error about a service being unknown: Error reading 1d66: Error during PDB fetch: [Errno socket error] (-2, 'Name or service not known') All other Internet apps I have work well. What else can I try to clear this up? Kenward -- In a completely rational society, the best of us would aspire to be _teachers_ and the rest of us would have to settle for something less, because passing civilization along from one generation to the next ought to be the highest honor and the highest responsibility anyone could have. - Lee Iacocca

2 2

ubuntu graphics problem
by Elaine Meng 23 Dec '08

23 Dec '08

Fabian reports a Chimera/ubuntu problem and a solution: Begin forwarded message: > > Hi Elaine, > > To save people painful dealing with the newest version of ubuntu, > 8.10, if everybody asks you, chimera has an incompatibility with the > "desktop effects" and "compiz" effects of this version. The only > solution I found (after two days of trials) is to remove compiz (apt- > get remove compiz) and completely disallow the desktop effects > (through system settings). > > Best regards, > Fabian > >> Something more urgent, I have recently updated my kubuntu system to >> 8.10, and the nvidia graphics card to nvidia-glx-177 (177.80 to be >> precise) which should be the correct one. The problem is that after >> a few seconds of working with some molecule in the chimera window >> (which opens fine), it gets stuck and works very very slowly if at >> all. That is a problem since I use chimera very heavily. Any hint >> you could give me of how to solve the problem would be invaluable. >> Just to mention that I have heard of problems with this version of >> kubuntu, but surely there is a workaround. >>

1 1

anti-aliasing in mac version
by Grigore Pintilie 22 Dec '08

22 Dec '08

If I'm not mistaken it looks like anti-aliasing is not used in the mac build of chimera... is there a way to enable this? I'm using a Macbook pro with the nvidia card and Mac os X. Greg

2 4

NMR-Style structures
by Eric Pettersen 18 Dec '08

18 Dec '08

On Dec 18, 2008, at 2:28 PM, Huang, Shengyou wrote: > Is any way for Viewdock in Chimera to open a pdb file with NMR-style > structures so that I can view those NMR-style structures one by one? Yes, you can use ViewDock for that. When ViewDock asks you what the file type is, choose either "Dock 3 or 3.5", "Dock 3.5.x single", or "Dock 4, 5 or 6". Then the normal ViewDock interface will come up. There won't be much information in the various fields because an NMR PDB file doesn't have the embedded information that a DOCK output file does, but nonetheless you can click through the list of structures like normal. Another possibility is to open the NMR file as a trajectory (MD/ Ensemble Analysis->MD Movie) and play through the conformations that way. You could also use other analysis capabilities of the MD Movie tool, such as the RMSD map function. You might also want to try out the Ensemble Cluster tool, which will cluster your NMR ensemble and let you look at representative structures from each cluster. It sounds like you have a lot of conformations, so the Ensemble Match (compare your N structures in an NxN table) and Tile Structures (show all the conformations at once tiled in a grid on the screen) are probably not as useful as they would be for smaller ensembles. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu

2 1

Stereo view
by Eric Pettersen 18 Dec '08

18 Dec '08

On Dec 18, 2008, at 2:28 PM, Huang, Shengyou wrote: > Another question is how to see a stereo view of a structure in > Chimera. Do I need a pair of special glasses for that? You can use the Camera tool (Stereo) to make Chimera show either a cross- or wall-eyed stereo view. You don't need special glasses to use those modes, but you do need to be able to cross or unfocus your eyes (respectively) to get the two images to merge. Some people have difficulty doing that. The other stereo modes mentioned on the page I linked to do require special glasses, and are described in detail on that page. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu

1 0

info about energy in the minimize module
by Bruno Villoutreix 18 Dec '08

18 Dec '08

Hello not sure this is the right place to ask... when running minimization in Chimera, do you have a window that show the energy values before and after the process ? or should this be done via a terminal window using the nogui option ? maybe the info is here around but could not find it so far many thanks Bruno

2 1

possibilities to save parts of models (selection)?
by Sebastian Kruggel 17 Dec '08

17 Dec '08

Hi all, is there a simple way to save incomplete models (eg the current selection)? The write command seems to work only with complete models and not with atomic specifications and the split command does only give me the possibility to split complete chains. Probabaly I just don't see something *very* easy... Thanks for help! Sebastian -- Sebastian Kruggel Institut für Pharmazie Bundesstr. 45 | Raum 112 D 20146 Hamburg Tel +49(0) 40 42838 3626

2 1

Re: [Chimera-users] (Thermal ellipsoids) anisotropic temperature factor ellipsoids
by Eric Pettersen 16 Dec '08

16 Dec '08

On Dec 11, 2008, at 3:43 PM, David Chenoweth wrote: > Hi Eric, > Thank you very much for the ellipsoid script! I really appreciate > your help and I think this will do the trick for now. I have been > learning some python on my own and I was wondering if you have some > good beginner examples of scripts for making geometrical shapes, > changing size and color, orientation, etc. that work in chimera. Hi David, You can show cones, arrows, boxes, and a variety of simple geometric shapes by opening a BILD format file in Chimera: BILD format. It may be a little awkward having a script write a temporary file, so instead you can use a StringIO object, as described here: [Chimera-users] BILD object question You can also use the 'shape' command to draw spheres, cylinders, and icosahedrons. You can run any Chimera command from Python by using Chimera's 'runCommand' function, e.g.: from chimera import runCommand runCommand("shape sphere center ligand color dodger blue radius 25") Feel free to ask more questions! --Eric

1 0

Re: [Chimera-users] (Thermal ellipsoids) anisotropic temperature factor ellipsoids
by Tom Goddard 16 Dec '08

16 Dec '08

Hi David, Ok I see now, it's a matter of choosing the size of each ellipsoid to have a 50% chance of finding the atom in that volume. This shouldn't be too hard but I'll let Eric tackle it if he has time. Tom David Chenoweth wrote: > Hi Tom, > > Here is the description of the thermal ellipsoids and option to change > the probability lavel from the Raster3D page. > > -prob Plevel > By default, isosurfaces are drawn to enclose the 50% probability > level in the probability density function described by the Uij values > in the ANISOU record. The -prob option allows you to select a > different probability level instead. If 0<Plevel<1 this value is > interpreted as a fraction; if Plevel > 1 this value is interpreted as > a percent. > > http://skuld.bmsc.washington.edu/raster3d/html/rastep.html > > -Dave > > > On Dec 12, 2008, at 10:27 AM, Tom Goddard wrote: > >> Hi David, >> >> By probability level do you mean occupancy? You could change the >> script to show only atoms with > 50% occupancy by changing: >> >> for a in atoms: >> perMol.setdefault(a.molecule, []).append(a) >> >> to >> >> for a in atoms: >> if a.occupancy > 0.5: >> perMol.setdefault(a.molecule, []).append(a) >> >> Tom >> >> >> David Chenoweth wrote: >>> Hi Tom, >>> >>> Thanks for the script and all the help. The script works great, but >>> I was just wondering if there is a way to set a probability level >>> (50%)? >>> >>> Thanks again, >>> Dave >>> >>> On Dec 12, 2008, at 9:58 AM, Tom Goddard wrote: >>> >>>> The script for drawing aniosotropic b-factor ellipsoids makes uses >>>> 1280 triangles per ellipsoid surface which slows down your graphics >>>> for cases with more than 1000 ellipsoids. You can reduce the >>>> "subdivision_levels = 3" in the script to "subdivision_levels = 1" >>>> to use just 80 triangles, or to a value of 2 for 320 triangles. >>>> The number of triangles controls how smooth the ellipsoid looks (T >>>> = 20 * 4^S, S = subdivision_levels). >>>> >>>> Tom >>>> >>>> >>>> Eric Pettersen wrote: >>>>> On Dec 10, 2008, at 3:41 PM, David Chenoweth wrote: >>>>> >>>>>> Dear Chimera team, >>>>>> >>>>>> It looks like preserving PDB ANISOU in Chimera is now a solved >>>>>> problem and I was just wondering if the ability to display >>>>>> anisotropic temperature factor ellipsoids would be added soon. >>>>>> Our small molecule lab and molecular observatory at Caltech is >>>>>> starting to use Chimera and I think small molecule >>>>>> crystallography labs in general would use Chimera more if this >>>>>> feature were available. I do have to admit that I am interested >>>>>> in this feature for selfish reasons. I am using Chimera for >>>>>> several publications and for the graphics in my thesis which, has >>>>>> to be finished in the next couple of weeks, and I would really >>>>>> like to use this feature. >>>>> >>>>> Hi Dave, >>>>> Yes, reading/preserving the ANISOU info lays the groundwork for >>>>> eventually showing anisotropic ellipsoids. There's still a lot of >>>>> work to go before showing the ellipsoids becomes a usable feature >>>>> of Chimera. It might make it into our next release (middle of >>>>> next year) and it might not. As a stopgap, I've attached a script >>>>> that will show ellipsoids for any currently selected atoms. You >>>>> can run it by simply using File->Open or the "open" command. The >>>>> first two lines of the script control the size and color of the >>>>> ellipsoids, so change them if you like. The script leverages some >>>>> code that Tom Goddard wrote for showing principal axes of inertia >>>>> as an ellipsoid. >>>>> Good luck with the thesis! >>>>> >>>>> --Eric >>>>> >>>>> Eric Pettersen >>>>> UCSF Computer Graphics Lab >>>>> http://www.cgl.ucsf.edu >>>>> >>>>> ------------------------------------------------------------------------ >>>>> >>>>> >>>>> ------------------------------------------------------------------------ >>>>> >>>>> >>>>> _______________________________________________ >>>>> Chimera-users mailing list >>>>> Chimera-users(a)cgl.ucsf.edu >>>>> http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users >>> >

2 1

making ribbon representaiton
by Bala subramanian 13 Dec '08

13 Dec '08

Hello all, I have a pdb file of a RNA duplex containing only the Phosphate atoms. How to make chimera to draw the ribbon representation. This is possible in vmd by using Tube as graphic style but i want to know if i can make it in Chimera too. Bala

2 1

length of a curved alpha helix
by Anindito Sen 12 Dec '08

12 Dec '08

Dear All I was wondering as how can I measure the length of "curved" alpha helix. Thanks Andy Dr. Anindito Sen (Ph.D) Research Associate , Dept. of Biochemistry and Molecular Genetics University of Virginia Box 800733 Charlottesville, VA 22908

3 2

problems before even getting to the plate...
by Jon Kenniston 12 Dec '08

12 Dec '08

Howdy, Trying to run latest Chimera release version 1.3.2577 on my OSX 10.4.11 with X11 version 1.1.3 and while the chimera program opens, I cannot open a PDB (or at least I can't see the opened PDB - no error message, and bottom left of chimera screen states "Opened XXX.pdb" for about a minute until it goes to blank). Should I try installing an older version of chimera? Any help would be much appreciated. Thanks, Jon

4 4

Re: [Chimera-users] (Thermal ellipsoids) anisotropic temperature factor ellipsoids
by Tom Goddard 12 Dec '08

12 Dec '08

Hi David, By probability level do you mean occupancy? You could change the script to show only atoms with > 50% occupancy by changing: for a in atoms: perMol.setdefault(a.molecule, []).append(a) to for a in atoms: if a.occupancy > 0.5: perMol.setdefault(a.molecule, []).append(a) Tom David Chenoweth wrote: > Hi Tom, > > Thanks for the script and all the help. The script works great, but I > was just wondering if there is a way to set a probability level (50%)? > > Thanks again, > Dave > > On Dec 12, 2008, at 9:58 AM, Tom Goddard wrote: > >> The script for drawing aniosotropic b-factor ellipsoids makes uses >> 1280 triangles per ellipsoid surface which slows down your graphics >> for cases with more than 1000 ellipsoids. You can reduce the >> "subdivision_levels = 3" in the script to "subdivision_levels = 1" to >> use just 80 triangles, or to a value of 2 for 320 triangles. The >> number of triangles controls how smooth the ellipsoid looks (T = 20 * >> 4^S, S = subdivision_levels). >> >> Tom >> >> >> Eric Pettersen wrote: >>> On Dec 10, 2008, at 3:41 PM, David Chenoweth wrote: >>> >>>> Dear Chimera team, >>>> >>>> It looks like preserving PDB ANISOU in Chimera is now a solved >>>> problem and I was just wondering if the ability to display >>>> anisotropic temperature factor ellipsoids would be added soon. Our >>>> small molecule lab and molecular observatory at Caltech is starting >>>> to use Chimera and I think small molecule crystallography labs in >>>> general would use Chimera more if this feature were available. I do >>>> have to admit that I am interested in this feature for selfish >>>> reasons. I am using Chimera for several publications and for the >>>> graphics in my thesis which, has to be finished in the next couple >>>> of weeks, and I would really like to use this feature. >>> >>> Hi Dave, >>> Yes, reading/preserving the ANISOU info lays the groundwork for >>> eventually showing anisotropic ellipsoids. There's still a lot of >>> work to go before showing the ellipsoids becomes a usable feature of >>> Chimera. It might make it into our next release (middle of next >>> year) and it might not. As a stopgap, I've attached a script that >>> will show ellipsoids for any currently selected atoms. You can run >>> it by simply using File->Open or the "open" command. The first two >>> lines of the script control the size and color of the ellipsoids, so >>> change them if you like. The script leverages some code that Tom >>> Goddard wrote for showing principal axes of inertia as an ellipsoid. >>> Good luck with the thesis! >>> >>> --Eric >>> >>> Eric Pettersen >>> UCSF Computer Graphics Lab >>> http://www.cgl.ucsf.edu >>> >>> ------------------------------------------------------------------------ >>> >>> >>> ------------------------------------------------------------------------ >>> >>> >>> _______________________________________________ >>> Chimera-users mailing list >>> Chimera-users(a)cgl.ucsf.edu >>> http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users >

1 0

(Thermal ellipsoids) anisotropic temperature factor ellipsoids
by David Chenoweth 12 Dec '08

12 Dec '08

Dear Chimera team, It looks like preserving PDB ANISOU in Chimera is now a solved problem and I was just wondering if the ability to display anisotropic temperature factor ellipsoids would be added soon. Our small molecule lab and molecular observatory at Caltech is starting to use Chimera and I think small molecule crystallography labs in general would use Chimera more if this feature were available. I do have to admit that I am interested in this feature for selfish reasons. I am using Chimera for several publications and for the graphics in my thesis which, has to be finished in the next couple of weeks, and I would really like to use this feature. Thanks in advance, Dave Chenoweth ********************************************** David M. Chenoweth California Institute of Technology Division of Chemistry and Chemical Engineering Mail Code: 164-30 1200 California Boulevard, 91125 Pasadena California, USA Phone: 626-395-6074 Email: dchen(a)caltech.edu **********************************************

3 2

drawing a symmetry axis
by Philip Wurm 12 Dec '08

12 Dec '08

Hi, i have a protein dimer and i would like to show the symmetry axis. I found a script in this mailing list: http://www.cgl.ucsf.edu/pipermail/chimera-users/2008-October/003140.html which works quite nice. But i would like to have a nicer representation of my symmetry axis, not this two slabs. Just a line or thin rod would be nice. Does anyone know how to do this? Thanks, Philip

4 3

Re: [Chimera-users] problems before even getting to the plate...
by Jon Kenniston 12 Dec '08

12 Dec '08

Thanks guys, I have it working now. The problem was with the specific type of PDB I was using. Incorrect info from a labmate... Jon On Dec 12, 2008, at 12:27 PM, Tom Goddard wrote: > I also tried 1.3 on a PPC Mac 10.4.11 desktop in the lab and it > correctly displayed PDB files. > > Tom > > Elaine Meng wrote: >> Hi Jon, >> I just tried Chimera Mac/X11 version 1.3 build 2577 on a Mac >> laptop, OS 10.4.11 along with X11 1.1.3, and was able to open >> various PDB files (local and fetched from the RCSB) and manipulate >> them. Must be something else in the details of your system - >> perhaps it will be evident from the information that comes with >> the bug report. >> Best, >> Elaine >> >> On Dec 11, 2008, at 11:46 AM, Greg Couch wrote: >> >>> On Wed, 10 Dec 2008, Jon Kenniston wrote: >>> >>>> Howdy, >>>> >>>> Trying to run latest Chimera release version 1.3.2577 on my OSX >>>> 10.4.11 with X11 version 1.1.3 and while the chimera program >>>> opens, I >>>> cannot open a PDB (or at least I can't see the opened PDB - no >>>> error >>>> message, and bottom left of chimera screen states "Opened XXX.pdb" >>>> for about a minute until it goes to blank). Should I try >>>> installing >>>> an older version of chimera? Any help would be much appreciated. >>>> >>>> Thanks, >>>> >>>> Jon >>>> >>> Please use the Help / Report a Bug dialog to get this bug into our >>> bug >>> database. It will tell which model Mac you have and what >>> graphics card it >>> has, so we can try to reproduce the bug locally on similar hardware. >>> >>> The next step would be to try the 1.3.2577 Aqua version of >>> chimera. And >>> if that doesn't work, then try an older version. If one or none >>> of those >>> work is important to know too. All of the versions can coexist >>> on your >>> Mac if you give each version of chimera a different name. >>> >>> Greg Couch

1 0