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Fecha de Creación | 20/6/2008 |
Última actualización | 11/9/2019 |
The Q5COST format has been designed and implemented with the aim of develop a Common Data Format for promoting code interoperability in Quantum Chemistry. Open Babel is a chemical toolbox designed to speak the many languages of chemical data. This document try to be a step by step guide about the use of the Q5COST binary format (based on HDF5, a unique technology suite that makes possible the management of extremely large and complex data collections) and how to integrate it on OpenBabel.