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MtsslWizard : in silico spin-labelling and generation of distance distributions in PyMOL
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dc.contributor.author | Hageluken, Gregor | |
dc.contributor.author | Ward, Richard James | |
dc.contributor.author | Naismith, Jim | |
dc.contributor.author | Schiemann, Olav | |
dc.date.accessioned | 2012-09-27T10:31:02Z | |
dc.date.available | 2012-09-27T10:31:02Z | |
dc.date.issued | 2012-04 | |
dc.identifier | 14063237 | |
dc.identifier | 4f796792-2b8c-4811-893c-51e9449c091a | |
dc.identifier | 000301378100008 | |
dc.identifier | 84857917265 | |
dc.identifier.citation | Hageluken , G , Ward , R J , Naismith , J & Schiemann , O 2012 , ' MtsslWizard : in silico spin-labelling and generation of distance distributions in PyMOL ' , Applied Magnetic Resonance , vol. 42 , no. 3 , pp. 377-391 . https://doi.org/10.1007/s00723-012-0314-0 | en |
dc.identifier.issn | 0937-9347 | |
dc.identifier.uri | https://hdl.handle.net/10023/3160 | |
dc.description | This work has been supported by Wellcome Trust and Biotechnology and Biological Sciences Research Council (BBSRC) funding. | en |
dc.description.abstract | MtsslWizard is a computer program, which operates as a plugin for the PyMOL molecular graphics system. MtsslWizard estimates distances between spin labels on proteins quickly with user configurable options through a simple graphical interface. The program searches for ensembles of possible MTSSL conformations that do not clash with a static model of the protein. Options include restricting the search procedure to published rotamer libraries of MTSSL or scoring for contacts with protein. Once conformations are assigned, distance distributions between two or more sites are calculated, displayed and can be exported to other software. The program's use is evaluated in a number of challenging test cases and its performance discussed. The strength of the program is its accuracy and simplicity. | |
dc.format.extent | 15 | |
dc.format.extent | 963395 | |
dc.language.iso | eng | |
dc.relation.ispartof | Applied Magnetic Resonance | en |
dc.subject | QD Chemistry | en |
dc.subject.lcc | QD | en |
dc.title | MtsslWizard : in silico spin-labelling and generation of distance distributions in PyMOL | en |
dc.type | Journal article | en |
dc.contributor.sponsor | BBSRC | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. School of Biology | en |
dc.contributor.institution | University of St Andrews. Biomedical Sciences Research Complex | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.identifier.doi | 10.1007/s00723-012-0314-0 | |
dc.description.status | Peer reviewed | en |
dc.identifier.grantnumber | BB/H017917/1 | en |
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