TLSMD
From Christoph's Personal Wiki
TLS Motion Determination (TLSMD) analyzes a protein crystal structure for evidence of flexibility, e.g. local or inter-domain motions.[1][2] It does this by partitioning the protein chains into multiple segments that are modeled as rigid bodies undergoing TLS (Translation/Libration/Screw) vibrational motion. It generates all possible partitions up to a specified maximum number of TLS groups. Each trial partition is evaluated by how well it predicts the observed atomic displacement parameters (ADPs, "thermal parameters") that came out of crystallographic refinement.
Contents
Keywords
TLSMD; TLS motion; web server; computer programs; TLS, translation libration screw; macromolecular crystallography; protein crystallography.
See also
- Python Macromolecular Library (mmLib)
References
- ↑ Painter J, Merritt EA (2006). "Optimal description of a protein structure in terms of multiple groups undergoing TLS motion". Acta Cryst, D62(4):439-450. DOI:10.1107/S0907444906005270 .
- ↑ Painter J, Merritt EA (2006). "TLSMD web server for the generation of multi-group TLS models". J Appl Cryst, 39(1):109-111. DOI:10.1107/S0021889805038987
