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  2. The CSD Python API — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/
    28 Mar 2024: Navigation. ». The CSD Python APINext topic. Quick search. Navigation. ». Copyright 2024, Cambridge Crystallographic Data Centre.

  3. Known issues — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/trouble_shooting.html
    28 Mar 2024: New issue: Matplotlib “ImportError: DLL load failed: The specified procedure could not be found.”.

  4. IO API — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/modules/io_api.html
    28 Mar 2024: A list of connection strings, to specify a pool. One of the supported file formats is ‘identifiers’ in which case the file is assumed to contain a new line separated list ... One of the supported file formats is ‘identifiers’ in which case the

  5. Protein API — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/modules/protein_api.html
    28 Mar 2024: In particular, adding hydrogens will add new hydrogen atoms to the end of the atom list.

  6. Conditions of Use — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/conditions_of_use.html
    28 Mar 2024: versions of any existing or new program, code, tool, data files, sub-files, documentation or command procedures which may be available from time to time (each individually a Component) encompasses database

  7. Reduced cell searching — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/reduced_cell_searching.html
    28 Mar 2024: Checking that a new crystal sample you are looking to collect has not been published before.

  8. Installation notes — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/installation_notes.html
    28 Mar 2024: bashrc file to add the new Python installation to your PATH:.

  9. Solubility Platform — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/solubility_platform.html
    28 Mar 2024: Various attributes of the database entry created can be updated with new values. >>> # ... You can create a new database or add the new entry to an existing database. >>>

  10. Working with Crystal Structure Predictions — CSD Python API 3.1.0…

    https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/csp/prediction.html
    28 Mar 2024: If the defined list of values is not currently appropriate contact us hello@ccdc.cam.ac.uk to help define a new value.

  11. ccdc.screening — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/screening.html
    28 Mar 2024: directory, 'similarity_atom_types_new.txt')) as f: self.atom_types = dict( (l.split()[1], True) for l in f if l.startswith('ATOM_TYPE') ).keys().

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