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Researchfish 2024 | Research Operations Office
https://www.research-operations.admin.cam.ac.uk/about-us/bulletin/item/researchfish-202428 Mar 2024: The Researchfish submission for 2024 has now closed for the main funders and we would like to thank all researchers, administrative staff and node administrators for their part in a successful submission process this year. If you have any remaining -
Veterinary Medicine - Trinity Hall Cambridge
https://www.trinhall.cam.ac.uk/study-with-us/undergraduate-study/courses/veterinary-medicine/22 Apr 2024: Admissions Process. None required. All applicants for Veterinary Medicine for 2025 entry are required to take the Engineering and Science Admissions Test (ESAT) at an authorised assessment centre. ... You must register in advance for this test. Please
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Working with molecules, atoms and bonds — CSD Python API 3.1.0…
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/molecule.html28 Mar 2024: We can test for containment in a ring:. >>> print(cemguy.atom('C1') in rings[0]) True >>> print(cemguy.bond('C6', 'C1') in rings[0]) True. -
Docking examples — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/cookbook_examples/docking_examples.html28 Mar 2024: sf][i] # m = dockmols[sf][i] for key, value in d.attributes.items(): test = re_RMSD.match(key) if test: table[key] = value test_fitness = re_FITNESS.match(key) if ... default=5, dest='ntests', help='The number of parallel test runs to attempt') parser.add -
ccdc.search — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/search.html28 Mar 2024: docs] def test(self, argument): '''Test that the argument satisfies the requirements of the settings instance. ... RuntimeError, TypeError): return False return CSDSQLDatabaseLib.test_molecule_settings_constraints( self._settings, argument._molecule ). -
Shaka Ashcroft - Wesley House
https://www.wesley.cam.ac.uk/research/students/shaka-ashcroft-2/27 Mar 2024: the principles of stewardship in John Wesley’s economics will help inform The Methodist Church’s strategy and interventions on poverty reduction in the Gambia.
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Substructure searching — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/substructure_searching.html28 Mar 2024: from ccdc.utilities import _test_output_dir >>> tempdir = _test_output_dir(). Let us also get a testosterone molecule out of the CSD. >>> ... With any of these substructures, a test may be made that a particular atom matches an atom of the substructure, -
Index — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/genindex.html28 Mar 2024: Navigation. ». Index. A. B. C. ccdc.cavity. ccdc.conformer. ccdc.crystal. ccdc.csp.csd_landscape_generator. ccdc.csp.database. ccdc.csp.prediction. ccdc.descriptors. ccdc.diagram. ccdc.docking. ccdc.interaction. ccdc.molecule. ccdc.morphology. -
Working with cavities — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/cavities.html28 Mar 2024: We can use the CavityDatabase API to construct a test database:. >>> -
ccdc.crystal — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/crystal.html28 Mar 2024: 0: # match the atoms to the molecule atoms_to_test = [] for j in range(molecule_subset.natoms()): # To replicate the comparison using numpy.allclose() we use, # for all atom pairs: # ... y()) and abs(at.coordinates.z - o.z()) <= 1.e-8 1.e-5 abs(o.z()): #
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