Openstructure
Description
Open-Source Computational Structural Biology Framework
Environment Modules
Run module spider openstructure to find out what environment modules are available for this application.
System Variables
- HPC_OPENSTRUCTURE_DIR - installation directory
- HPC_OPENSTRUCTURE_IMAGE - Apptainer container image
Additional Information
Usage
OST (or ost) - OpenStructure binary
lDDT (or lddt) - The Local Distance Difference Test
Molck (or molck) - Molecular checker
ChemdictTool (or chemdict_tool) - Creating or update a compound library
tmalign
tmscore
Citation
If you publish research that uses openstructure you have to cite it as follows:
If you like our software and have used it in your research project, please cite the following paper on OpenStructure:
M. Biasini, T. Schmidt, S. Bienert, V. Mariani, G. Studer, J. Haas, N. Johner, A.D. Schenk, A. Philippsen and T. Schwede, OpenStructure: an integrated software framework for computational structural biology, Acta Cryst., 2013 If you use the code or binary in OpenStructure to compute lDDT scores, please also cite the following reference:
V. Mariani, M. Biasini, A. Barbato, T. Schwede, lDDT : A local superposition-free score for comparing protein structures and models using distance difference tests, Bioinformatics, 2013
If you use the code in OpenStructure to compute QS scores, please also cite the following reference:
M. Bertoni, F. Kiefer, M. Biasini, L. Bordoli, T. Schwede, Modeling protein quaternary structure of homo- and hetero-oligomers beyond binary interactions by homology, Scientific Reports, 2017