================= 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
It turns out for some reason we were reading them from chains, based on the ChainType of the chain. This prevented extracting anything from legacy PDB files and didn't match the documented behavior in the action. Now extraction is based on the IsLigand flag only, and documentation is consistent throughout. Behavior on PDB files is tested.