title: mtsslSuite:In silicospin labelling, trilateration and distance-constrained rigid body docking in PyMOL.
abstract: Nanometer distance measurements based on electron paramagnetic resonance methods in combination with site-directed spin labelling are powerful tools for the structural analysis of macromolecules. The software package mtsslSuite provides scientists with a set of tools for the translation of experimental distance distributions into structural information. The package is based on the previously published mtsslWizard software forin silicospin labelling. The mtsslSuite includes a new version of MtsslWizard that has improved performance and now includes additional types of spin labels. Moreover, it contains applications for the trilateration of paramagnetic centres in biomolecules and for rigid-body docking of subdomains of macromolecular complexes. The mtsslSuite is tested on a number of challenging test cases and its strengths and weaknesses are evaluated.
authors: Institute of Physical and Theoretical Chemistry, University of Bonn, Bonn, Germany.
authors: Gregor
authors: G
authors: Hagelueken
authors: Institute of Physical and Theoretical Chemistry, University of Bonn, Bonn, Germany.
authors: Dinar
authors: D
authors: Abdullin
authors: Biomedical Sciences Research Complex, The University of St. Andrews, Fife, UK.
authors: Richard
authors: R
authors: Ward
authors: Institute of Physical and Theoretical Chemistry, University of Bonn, Bonn, Germany ; Biomedical Sciences Research Complex, The University of St. Andrews, Fife, UK.
authors: Olav
authors: O
authors: Schiemann
keywords: DEER; EPR; FRET; PELDOR; docking; triangulation