MtsslWizard: In Silico Spin-Labeling and Generation of Distance Distributions in PyMOL
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. In default mode, the program searches for ensembles of p...
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| Veröffentlicht in: | Applied magnetic resonance 2012-04, Vol.42 (3), p.377-391 |
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| container_title | Applied magnetic resonance |
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| creator | Hagelueken, Gregor Ward, Richard Naismith, James H. Schiemann, Olav |
| description | 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. In default mode, the program searches for ensembles of possible MTSSL conformations that do not clash with a static model of the protein. Once conformations are assigned, distance distributions between two or more ensembles 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 strengths and weaknesses evaluated. The benefits of the program are its accuracy and simplicity. |
| doi_str_mv | 10.1007/s00723-012-0314-0 |
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| subjects | Algorithms Atoms and Molecules in Strong Fields Computers Labels Laser Matter Interaction NMR Nuclear magnetic resonance Organic Chemistry Physical Chemistry Physics Physics and Astronomy Proteins Solid State Physics Spectroscopy/Spectrometry Static models User interface |
| title | MtsslWizard: In Silico Spin-Labeling and Generation of Distance Distributions in PyMOL |
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