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  2. Life Sciences und Facility Management
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  4. Publikationen Life Sciences und Facility Management
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dc.contributor.authorRose, Alexander S.-
dc.contributor.authorSehnal, David-
dc.contributor.authorBliven, Spencer-
dc.contributor.authorBurley, Stephen K.-
dc.contributor.authorVelankar, Sameer-
dc.date.accessioned2022-09-12T08:38:28Z-
dc.date.available2022-09-12T08:38:28Z-
dc.date.issued2018-
dc.identifier.issn0006-3495de_CH
dc.identifier.issn1542-0086de_CH
dc.identifier.urihttps://digitalcollection.zhaw.ch/handle/11475/25613-
dc.description.abstractAdvances in experimental techniques are providing access to ever more complex and larger macromolecular data sets. Definition and extraction of substructures represents a crucial step required for both analysis and visualization of these data. A common language for defining macromolecular substructures would streamline this step, and enable communication among different computational and visualization tools. However, software tools usually define their own query language or support a language that is not sufficiently general to describe complex spatial and other relationships within macromolecular structures. Herein, we introduce the Molecular Query Language (MolQL), a declarative language for describing substructures within molecular data. The design of the language has three main goals: 1) Make it easy for tool developers to implement the specification; 2) Be expressive enough to describe a wide range of molecular substructures; and 3) Be readily extensible. We describe the initial specification of the language, and provide its reference implementation that can execute MolQL expressions on any Protein Data Bank archival entry (pdb.org) and immediately show the result in a web browser. Moreover, we demonstrate the versatility of the language by translating Jmol, PyMOL, and VMD selection expressions into MolQL. Find out more about MolQL and try it online at http://molql.org/.de_CH
dc.language.isoende_CH
dc.publisherCell Pressde_CH
dc.relation.ispartofBiophysical Journalde_CH
dc.rightsLicence according to publishing contractde_CH
dc.subjectBioinformaticsde_CH
dc.subjectMolecular query languagede_CH
dc.subject.ddc005: Computerprogrammierung, Programme und Datende_CH
dc.titleMolql : towards a common general purpose molecular query languagede_CH
dc.typeKonferenz: Posterde_CH
dcterms.typeTextde_CH
zhaw.departementLife Sciences und Facility Managementde_CH
zhaw.organisationalunitInstitut für Computational Life Sciences (ICLS)de_CH
dc.identifier.doi10.1016/j.bpj.2017.11.1910de_CH
zhaw.conference.details62nd Annual Meeting of the Biophysical Society, San Francisco, USA, 17-21 February 2018de_CH
zhaw.funding.euNode_CH
zhaw.issue3, Supplement 1de_CH
zhaw.originated.zhawYesde_CH
zhaw.pages.start342ade_CH
zhaw.publication.statuspublishedVersionde_CH
zhaw.volume114de_CH
zhaw.publication.reviewPeer review (Publikation)de_CH
zhaw.webfeedComputational Genomicsde_CH
zhaw.author.additionalNode_CH
zhaw.display.portraitYesde_CH
Appears in collections:Publikationen Life Sciences und Facility Management

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Rose, A. S., Sehnal, D., Bliven, S., Burley, S. K., & Velankar, S. (2018). Molql : towards a common general purpose molecular query language [Conference poster]. Biophysical Journal, 114(3, Supplement 1), 342a. https://doi.org/10.1016/j.bpj.2017.11.1910
Rose, A.S. et al. (2018) ‘Molql : towards a common general purpose molecular query language’, in Biophysical Journal. Cell Press, p. 342a. Available at: https://doi.org/10.1016/j.bpj.2017.11.1910.
A. S. Rose, D. Sehnal, S. Bliven, S. K. Burley, and S. Velankar, “Molql : towards a common general purpose molecular query language,” in Biophysical Journal, 2018, vol. 114, no. 3, Supplement 1, p. 342a. doi: 10.1016/j.bpj.2017.11.1910.
ROSE, Alexander S., David SEHNAL, Spencer BLIVEN, Stephen K. BURLEY und Sameer VELANKAR, 2018. Molql : towards a common general purpose molecular query language. In: Biophysical Journal. Conference poster. Cell Press. 2018. S. 342a
Rose, Alexander S., David Sehnal, Spencer Bliven, Stephen K. Burley, and Sameer Velankar. 2018. “Molql : Towards a Common General Purpose Molecular Query Language.” Conference poster. In Biophysical Journal, 114:342a. Cell Press. https://doi.org/10.1016/j.bpj.2017.11.1910.
Rose, Alexander S., et al. “Molql : Towards a Common General Purpose Molecular Query Language.” Biophysical Journal, vol. 114, no. 3, Supplement 1, Cell Press, 2018, p. 342a, https://doi.org/10.1016/j.bpj.2017.11.1910.


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