MtsslWizard: in silico spin-labelling and generation of distance distributions in PyMOL

Gregor Hageluken; Richard James Ward; Jim Naismith; Olav Schiemann

doi:10.1007/s00723-012-0314-0

MtsslWizard: in silico spin-labelling and generation of distance distributions in PyMOL

Gregor Hageluken, Richard James Ward, Jim Naismith, Olav Schiemann

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	377-391
Number of pages	15
Journal	Applied Magnetic Resonance
Volume	42
Issue number	3
Early online date	3 Feb 2012
DOIs	https://doi.org/10.1007/s00723-012-0314-0
Publication status	Published - Apr 2012

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10.1007/s00723-012-0314-0

Hagelueken2012ApplMagReson42MtsslWizard
(c) The Authors 2012. This article is distributed under the terms of the Creative Commons Attribution License which permits any use, distribution, and reproduction in any medium, provided the original author(s) and the source are credited.
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ConformationalStates of MembranceProtein: Conformational states of membrane proteins: Technology development for bioscience
Naismith, J. (PI) & Liu, H. (CoI)
BBSRC
1/07/10 → 9/01/16
Project: Standard

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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.",

author = "Gregor Hageluken and Ward, {Richard James} and Jim Naismith and Olav Schiemann",

note = "This work has been supported by Wellcome Trust and Biotechnology and Biological Sciences Research Council (BBSRC) funding. ",

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AU - Hageluken, Gregor

AU - Ward, Richard James

AU - Naismith, Jim

AU - Schiemann, Olav

N1 - This work has been supported by Wellcome Trust and Biotechnology and Biological Sciences Research Council (BBSRC) funding.

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AB - 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.

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DO - 10.1007/s00723-012-0314-0

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SP - 377

EP - 391

JO - Applied Magnetic Resonance

JF - Applied Magnetic Resonance

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ER -

MtsslWizard: in silico spin-labelling and generation of distance distributions in PyMOL

Abstract

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ConformationalStates of MembranceProtein: Conformational states of membrane proteins: Technology development for bioscience

Cite this