Home LiteratureArticle Details
PMID: 28710774 Published · ppublish English Journal Article Research Support, N.I.H., Extramural

UCSF ChimeraX: Meeting modern challenges in visualization and analysis.

Protein science : a publication of the Protein Society ·Vol. 27 ·No. 1 ·2018-00-00 ·Pages 14-25

Goddard TD, Huang CC, Meng EC, Pettersen EF, Couch GS, Morris JH, Ferrin TE

Abstract

UCSF ChimeraX is next-generation software for the visualization and analysis of molecular structures, density maps, 3D microscopy, and associated data. It addresses challenges in the size, scope, and disparate types of data attendant with cutting-edge experimental methods, while providing advanced options for high-quality rendering (interactive ambient occlusion, reliable molecular surface calculations, etc.) and professional approaches to software design and distribution. This article highlights some specific advances in the areas of visualization and usability, performance, and extensibility. ChimeraX is free for noncommercial use and is available from http://www.rbvi.ucsf.edu/chimerax/ for Windows, Mac, and Linux.

Keywords
biomolecular visualization and analysis density maps integrative hybrid modeling interactive molecular graphics large-scale data light-sheet microscopy structural biology virtual reality
MeSH Terms
Imaging, Three-Dimensional Molecular Structure Software
Authors & Affiliations
7 authors, click to expand affiliations / ORCID
Goddard Thomas D
Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California, 94143.
Huang Conrad C
Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California, 94143.
Meng Elaine C
Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California, 94143.
Pettersen Eric F
Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California, 94143.
Couch Gregory S
Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California, 94143.
Morris John H
Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California, 94143.
Ferrin Thomas E ORCID
Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California, 94143.
References (44)
44 references, click to expand
  1. ModBase, a database of annotated comparative protein structure models, and associated resources.
    Nucleic Acids Res. 2011 Jan;39(Database issue):D465-74 PMID: 21097780
  2. Integration of biological networks and gene expression data using Cytoscape.
    Nat Protoc. 2007;2(10):2366-82 PMID: 17947979
  3. Fast, scalable generation of high-quality protein multiple sequence alignments using Clustal Omega.
    Mol Syst Biol. 2011 Oct 11;7:539 PMID: 21988835
  4. Structural characterization by cross-linking reveals the detailed architecture of a coatomer-related heptameric module from the nuclear pore complex.
    Mol Cell Proteomics. 2014 Nov;13(11):2927-43 PMID: 25161197
  5. Actin-based protrusions of migrating neutrophils are intrinsically lamellar and facilitate direction changes.
    Elife. 2017 Sep 26;6:null PMID: 28948912
  6. The STRING database in 2017: quality-controlled protein-protein association networks, made broadly accessible.
    Nucleic Acids Res. 2017 Jan 4;45(D1):D362-D368 PMID: 27924014
  7. Web services at the European Bioinformatics Institute-2009.
    Nucleic Acids Res. 2009 Jul;37(Web Server issue):W6-10 PMID: 19435877
  8. Electrostatics of nanosystems: application to microtubules and the ribosome.
    Proc Natl Acad Sci U S A. 2001 Aug 28;98(18):10037-41 PMID: 11517324
  9. BioCatalogue: a universal catalogue of web services for the life sciences.
    Nucleic Acids Res. 2010 Jul;38(Web Server issue):W689-94 PMID: 20484378
  10. Announcing the worldwide Protein Data Bank.
    Nat Struct Biol. 2003 Dec;10(12):980 PMID: 14634627
  11. UniProt: the universal protein knowledgebase.
    Nucleic Acids Res. 2017 Jan 4;45(D1):D158-D169 PMID: 27899622
  12. The anatomy and taxonomy of protein structure.
    Adv Protein Chem. 1981;34:167-339 PMID: 7020376
  13. Lattice light-sheet microscopy: imaging molecules to embryos at high spatiotemporal resolution.
    Science. 2014 Oct 24;346(6208):1257998 PMID: 25342811
  14. Cytoscape: a software environment for integrated models of biomolecular interaction networks.
    Genome Res. 2003 Nov;13(11):2498-504 PMID: 14597658
  15. The Pfam protein families database: towards a more sustainable future.
    Nucleic Acids Res. 2016 Jan 4;44(D1):D279-85 PMID: 26673716
  16. Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling.
    Proc Natl Acad Sci U S A. 2013 Jul 23;110(30):12301-6 PMID: 23840063
  17. The PDB format, mmCIF, and other data formats.
    Methods Biochem Anal. 2003;44:161-79 PMID: 12647386
  18. CDD: NCBI's conserved domain database.
    Nucleic Acids Res. 2015 Jan;43(Database issue):D222-6 PMID: 25414356
  19. Ambient occlusion and edge cueing to enhance real time molecular visualization.
    IEEE Trans Vis Comput Graph. 2006 Sep-Oct;12(5):1237-44 PMID: 17080857
  20. Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
    Acta Crystallogr D Struct Biol. 2016 Sep;72 (Pt 9):1006-16 PMID: 27599733
  21. OpenMM: A Hardware Independent Framework for Molecular Simulations.
    Comput Sci Eng. 2015 Jul 1;12(4):34-39 PMID: 26146490
  22. UCSF Chimera--a visualization system for exploratory research and analysis.
    J Comput Chem. 2004 Oct;25(13):1605-12 PMID: 15264254
  23. Multi-scale Visualization of Molecular Architecture Using Real-Time Ambient Occlusion in Sculptor.
    PLoS Comput Biol. 2015 Oct 27;11(10):e1004516 PMID: 26505203
  24. Cryo-EM of macromolecular assemblies at near-atomic resolution.
    Nat Protoc. 2010 Sep;5(10):1697-708 PMID: 20885381
  25. Software extensions to UCSF chimera for interactive visualization of large molecular assemblies.
    Structure. 2005 Mar;13(3):473-82 PMID: 15766548
  26. Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop.
    Structure. 2015 Jul 7;23(7):1156-67 PMID: 26095030
  27. Visualizing density maps with UCSF Chimera.
    J Struct Biol. 2007 Jan;157(1):281-7 PMID: 16963278
  28. Database resources of the National Center for Biotechnology Information.
    Nucleic Acids Res. 2016 Jan 4;44(D1):D7-19 PMID: 26615191
  29. On the interpretation of electron microscopic maps of biological macromolecules.
    Protein Sci. 2017 Jan;26(1):122-129 PMID: 27706888
  30. CATH: an expanded resource to predict protein function through structure and sequence.
    Nucleic Acids Res. 2017 Jan 4;45(D1):D289-D295 PMID: 27899584
  31. Cytoscape app store.
    Bioinformatics. 2013 May 15;29(10):1350-1 PMID: 23595664
  32. VMD: visual molecular dynamics.
    J Mol Graph. 1996 Feb;14(1):33-8, 27-8 PMID: 8744570
  33. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading.
    J Comput Chem. 2010 Jan 30;31(2):455-61 PMID: 19499576
  34. Tools for integrated sequence-structure analysis with UCSF Chimera.
    BMC Bioinformatics. 2006 Jul 12;7:339 PMID: 16836757
  35. STAR/mmCIF: an ontology for macromolecular structure.
    Bioinformatics. 2000 Feb;16(2):159-68 PMID: 10842738
  36. ProfileGrids: a sequence alignment visualization paradigm that avoids the limitations of Sequence Logos.
    BMC Proc. 2014 Aug 28;8(Suppl 2 Proceedings of the 3rd Annual Symposium on Biologica):S6 PMID: 25237393
  37. New electron microscopy database and deposition system.
    Trends Biochem Sci. 2002 Nov;27(11):589 PMID: 12417136
  38. SCOP: a structural classification of proteins database for the investigation of sequences and structures.
    J Mol Biol. 1995 Apr 7;247(4):536-40 PMID: 7723011
  39. Reduced surface: an efficient way to compute molecular surfaces.
    Biopolymers. 1996 Mar;38(3):305-20 PMID: 8906967
  40. HELANAL: a program to characterize helix geometry in proteins.
    J Biomol Struct Dyn. 2000 Apr;17(5):811-9 PMID: 10798526
  41. The RCSB Protein Data Bank: redesigned web site and web services.
    Nucleic Acids Res. 2011 Jan;39(Database issue):D392-401 PMID: 21036868
  42. The interpretation of protein structures: estimation of static accessibility.
    J Mol Biol. 1971 Feb 14;55(3):379-400 PMID: 5551392
  43. Determining the architectures of macromolecular assemblies.
    Nature. 2007 Nov 29;450(7170):683-94 PMID: 18046405
  44. Comparative protein modelling by satisfaction of spatial restraints.
    J Mol Biol. 1993 Dec 5;234(3):779-815 PMID: 8254673
Article Info
Journal
Protein science : a publication of the Protein Society
Abbr.
Protein Sci
ISSN
1469-896X
Published
2018-00-00
Epub
2017-00-06
Pages
14-25
Language
English
Region
United States
NLM ID
9211750
PMCID
PMC5734306
Subset
IM
Grants
NIGMS NIH HHS · P41 GM103311 · United States
Databases
Analysis Services
Analysis Services

Contact

No. 2 Wenbo Road, Zhangqiu District, Jinan, Shandong

Qilu Normal University · Genelibs Bioinformatics Lab

750 Shunhua Rd, Jinan

2F, Bldg F, University Science Park

Tel: 0531-88819269

WeChat Official Account

Follow our WeChat subscription account for real-time updates and the latest in medical and biological research.


Business Email

E-mail: product@genelibs.com