================= 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 =======================================
Studer Gabriel
authored
Make sure that the mmcif info object has all branch link info, also the ones connecting atoms that are not resolved in the structure. In general, this commit avoids that there is explicit reference to the underlying structure in the info object, i.e. no actual AtomHandle objects are stored in there just the raw info from the mmcif file. Building the connectivity is delegated to MMCifReader.Parse