================= OpenStructure molecular modelling framework ================== OpenStructure provides a modular, flexible, molecular modelling environment which allows to integrate, process and visualize information of different origin such as sequences, alignments and 3D structures. Please refer to www.openstructure.org for more information and documentation. Thank you for you interest and enjoy the straightforward way of handling protein structure data! Please do not hesitate to contact us for feedback or troubleshooting: openstructure-users@maillist.unibas.ch 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 ================= The OpenStructure Team =======================================
Xavier Robin
authored
Behavior was made more consistent. Methods are now available on all the (Atom|Residue|Chain)(Handle|View)s, including in Python, and documented. A hash code is an `unsigned long`, and requesting it on an invalid handle raises an `InvalidHande` exception. In practice, the following was implemented: - Exported to Python for ChainHandles - Added method on ResidueViews and ChainViews (including Python export) - Raise InvalidHandle error on ResidueHandle (was: return 0) - Explicitly check validity of ChainHandle (although behavior was to throw an error even without explicit check) - Changed return value from `long` to `unsigned long` on Atom(View|Handle)s.