TY - JOUR
T1 - MtsslWizard
T2 - In Silico Spin-Labeling and Generation of Distance Distributions in PyMOL
AU - Hagelueken, Gregor
AU - Ward, Richard
AU - Naismith, James H.
AU - Schiemann, Olav
N1 - Funding Information:
Acknowledgments We are very grateful to Gunnar Jeschke for critical discussion of the manuscript. We thank Dr. Jason Vertrees for some programming tips. This work has been supported by Wellcome Trust and Biotechnology and Biological Sciences Research Council (BBSRC) funding.
PY - 2012/4
Y1 - 2012/4
N2 - 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.
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. 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.
UR - http://www.scopus.com/inward/record.url?scp=84857917265&partnerID=8YFLogxK
U2 - 10.1007/s00723-012-0314-0
DO - 10.1007/s00723-012-0314-0
M3 - Article
AN - SCOPUS:84857917265
SN - 0937-9347
VL - 42
SP - 377
EP - 391
JO - Applied Magnetic Resonance
JF - Applied Magnetic Resonance
IS - 3
ER -