- Chimera-users - RBVI Mailing Lists

Chimera Plugins
by Eric Bell 16 Jun '14

16 Jun '14

Hello, Does a list exist somewhere of plugins developed for Chimera, or would we need to find them posted separately on a host site? Also, I found recently a software that gives preset .stl mesh resolutions for all atoms of the same element so that when they are 3d-printed, the atoms can all be distinguished from one another: http://cad4.cpac.washington.edu/WinXMorphHome/Cif2VRMLHome/Cif2VRML.htm However, the rest of the software seems lacking in reference to chimera's capabilities, is there any way that Chimera could have a similar feature? Ideally it would allow the "subdivisions" property of the viewing effects apply to every element, similar to how radius applies to all atoms of the same element. Thanks, Eric

3 2

Adding residue to two sides of DNA
by Mehdi Bagherpour 16 Jun '14

16 Jun '14

Dear Chimera Users, I want to add 3 base-pairs to two side of DNA. I tried more about that but I couldn't. Could some one any idea about doing that in chimera or another programs. Best Regards, Mahdi

3 2

QUESTION
by Eifler, Jay Q. (UMKC-Student) 16 Jun '14

16 Jun '14

Wanting to know if we can use charges assigned by define attribute in a file for the purpose of adding ions. Seems like the Add Ions feature will not do this and will only use the built in methods Gasteigter, etc. I have a HYP residue that the Add Charge feature won't do.

2 1

About direct fetching biological assemblies into Chimera
by Boaz Shaanan 16 Jun '14

16 Jun '14

Hi Tom, This is a nice addition but can you ALSO give the option of fetching just one of the biological assemblies? It is my experience that biological assemblies for a particular pdb entry consist of one correct assembly, in the sense of biological function corresponding to the description given by the depositors and other assemblies. I usually flip between the assemblies on the RCSB website before deciding which one to fetch. With your new addition this of course can all be done now in Chimera but if possible, I'd rather not waste time and disk space with meaningless assemblies. What do you think? Cheers, Boaz Message: 6 Date: Mon, 2 Jun 2014 16:53:06 -0700 From: Tom Goddard <goddard(a)sonic.net> To: "Hurt, Darrell (NIH/NIAID) [E]" <darrellh(a)niaid.nih.gov> Cc: "chimera-users(a)cgl.ucsf.edu BB" <chimera-users(a)cgl.ucsf.edu> Subject: Re: [Chimera-users] Fetch biological unit? Message-ID: <0086EC78-81D4-4892-9A22-A4177426F74D(a)sonic.net> Content-Type: text/plain; charset=windows-1252 Hi Darrell, I added a Chimera Fetch dialog entry ?PDB biounit? that will fetch all the biological assembly files for a pdb id ? there can be more than one. Also they can be fetched using the Chimera command: open pdbbuID:2bbv Will be in tonight?s daily build. Tom Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel E-mail: bshaanan(a)bgu.ac.il Phone: 972-8-647-2220 Skype: boaz.shaanan Fax: 972-8-647-2992 or 972-8-646-1710

3 6

Color by RMSD for multi-chain structure?
by Oliver Clarke 13 Jun '14

13 Jun '14

Hi all, Is there an easy way to color two superimposed structures by RMSD (per C-alpha pair)? I had a quick look through the manual and the mailing list and I couldn’t find any easy way to do so for a structure that consists of more than one chain. I think this would be a very useful addition to either render by attribute or the calculation of a morph (because presumably the paired CA-CA distances are already calculated in the process of generating the morph). I have aligned based on one chain in a complex, and would like to color the entire complex by RMSD (to highlight the parts that move the most between two states of the same complex). I can calculate the per CA RMSD using “rmsd #1 #2”, but I can’t see any obvious way to assign that to a residue attribute using the attribute calculator or setattr etc. Many thanks, Oliver.

2 2

easy way to make alignments in chimera
by Michał Kadlof 13 Jun '14

13 Jun '14

Hello, I would like to ask if there is any quick way to make aligment (with secondary structure score included) beetwen two homologous protein structures, and save them in Stockholm format (information about missing residues is needed). I have houndreds of such pairs, and it would be very helpfull to do it by script for headless Chimera. -- yours sincerely Michael Kadlof University of Warsaw

2 3

Subclass chimera.Molecule
by Jaime Rodríguez-Guerra 13 Jun '14

13 Jun '14

Hello, I am trying to extend the chimera.Molecule class() to add a few methods and attributes, but the followin error arises: TypeError: Error when calling the metaclass bases type '_molecule.Molecule' is not an acceptable base type File "/home/jr/x/gaudi/gaudi/molecule.py", line 51, in <module> class Compound(chimera.Molecule): Is there any workaround? I want my Compound objects to behave like standard chimera Molecules (with all their attributes and stuff), and also be able to call custom methods on that Molecule. Thanks in advance, Jaime.

3 3

how can i register to use chimera
by carlos martinez 12 Jun '14

12 Jun '14

how can i register to use chimera program

2 1

python printing in x3d2collada.py
by Dougherty, Matthew T 11 Jun '14

11 Jun '14

I was delving into the chimera code and wanted to print some variables to better understand how the code works. When I use a print statement I do not see anything in the reply log or the IDLE window. here is an example for filename in args: print filename print >> sys.stdout, "FN: %s" % filename Matthew Dougherty National Center for Macromolecular Imaging Baylor College of Medicine ===========================================================================

2 2

Re: [Chimera-users] "ligand" category for selection
by Hurt, Darrell (NIH/NIAID) [E] 10 Jun '14

10 Jun '14

I guess one way to do it might be to use a different specifier for ligands, like maybe: :/numAtoms<100 -- Darrell Hurt, Ph.D. Section Head, Computational Biology Bioinformatics and Computational Biosciences Branch (BCBB) OCICB/OSMO/OD/NIAID/NIH 31 Center Drive, Room 3B62B, MSC 2135 Bethesda, MD 20892-2135 Office: 301-402-0095 Mobile: 301-758-3559 Web: BCBB Home Page<http://www.niaid.nih.gov/about/organization/odoffices/omo/ocicb/Pages/bcbb.…> Twitter: @niaidbioit<https://twitter.com/niaidbioit> Disclaimer: The information in this e-mail and any of its attachments is confidential and may contain sensitive information. It should not be used by anyone who is not the original intended recipient. If you have received this e-mail in error please inform the sender and delete it from your mailbox or any other storage devices. National Institute of Allergy and Infectious Diseases shall not accept liability for any statements made that are sender's own and not expressly made on behalf of the NIAID by one of its representatives. From: <Hurt>, Darrell Hurt <darrellh(a)niaid.nih.gov<mailto:darrellh@niaid.nih.gov>> Date: Thursday, June 5, 2014 12:41 PM To: "chimera-users(a)cgl.ucsf.edu<mailto:chimera-users@cgl.ucsf.edu> BB" <chimera-users(a)cgl.ucsf.edu<mailto:chimera-users@cgl.ucsf.edu>> Subject: [Chimera-users] "ligand" category for selection Hi Chimera friends, I'm trying to use the attached MOL file (dopamine) in Chimera and I want to run a Python script on it. My script does some things to the molecule using selection categories. I'm trying to select this molecule as "ligand", but I get a "No atoms specified" error. Alternatively, is there a way in Python to ignore the error if I get it and keep processing the rest of the script? Thanks, Darrell -- Darrell Hurt, Ph.D. Section Head, Computational Biology Bioinformatics and Computational Biosciences Branch (BCBB) OCICB/OSMO/OD/NIAID/NIH 31 Center Drive, Room 3B62B, MSC 2135 Bethesda, MD 20892-2135 Office: 301-402-0095 Mobile: 301-758-3559 Web: BCBB Home Page<http://www.niaid.nih.gov/about/organization/odoffices/omo/ocicb/Pages/bcbb.…> Twitter: @niaidbioit<https://twitter.com/niaidbioit> Disclaimer: The information in this e-mail and any of its attachments is confidential and may contain sensitive information. It should not be used by anyone who is not the original intended recipient. If you have received this e-mail in error please inform the sender and delete it from your mailbox or any other storage devices. National Institute of Allergy and Infectious Diseases shall not accept liability for any statements made that are sender's own and not expressly made on behalf of the NIAID by one of its representatives.

3 7