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Who writes software for CML?

April 26, 2017CML Software writes

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Who writes software for CML?

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A CML system may require many components, including: • Direct output . It is technically easy to convert the output of programs to XML and CML. We have persuaded several program/instrument/database suppliers to add “Save as CML” to their programs. Lobby your own ones! • Editors . • The JChemPaint OpenScience group use CML as a native input and output for their Java editor. • We have collaborated with Peter Ertl (Novartis) in wrapping his JME molecular editor so that it reads CML files and outputs CML. Only molecular information in the input file is preserved. It is also possible to create legacy formats and then convert to CML with legacy converters. • Molecular Legacy Converters . We have written converters for almost all the common molecular formats including: • MDLMolfile • SYBYL MOL2 • SMILES • PDB (mainly the molecular information) • CIF (small molecules) • mmCIF (macromolecules) • MIF (CIF-like format from CCDC) • JME • XYZ • Theochem Legacy Converters . We have written (partial)