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Astronomy & Astrophysics manuscript no. SHARDDS ©ESO 2022August…
https://people.ast.cam.ac.uk/~wyatt/dmac22.pdf22 Mar 2024: This detection rate re-quires the successive injection of 20 fake companions per con-sidered annulus. ... We relied on ten particles with a maximum number ofiterations equal to 20. -
Utilities — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/utilities.html28 Mar 2024: 1.0, End: 1.0, NBins: 20, Bin width: 0.1. ... at_point(mol.atom('C10').coordinates) >>> print(round(v, 2)) 2.64 >>> v = grid.value(20, 25, 10) >>> print(round(v, 2)) 0.66. -
MNRAS 000, 1–17 (2033) Preprint 19 June 2023 Compiled ...
https://people.ast.cam.ac.uk/~wyatt/tmbh23.pdf22 Mar 2024: ph.E. P] 1. 6 Ju. n 20. 23. 2 James Terrill et al. ... 𝜎𝑟 (au) ⟨𝑖⟩ (). 0.01 5 89.31.00.50.01 10 89.21.20.20.01 20 89.61.20.40.03 5 89.61.30.50.03 10 -
Text-numeric searching — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/text_numeric_searching.html28 Mar 2024: query.clear() >>> query.add_compound_name('acetylcholine') >>> print(len(query.search())) 20. When using the ‘exact’ mode we get two fewer hits. >>> -
Working with Crystal Structure Predictions — CSD Python API 3.1.0…
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/csp/prediction.html28 Mar 2024: of matching clusters of 20 molecules per chemically different component. -
Cosmic dust fertilization of glacial prebiotic chemistry on early ...
https://people.ast.cam.ac.uk/~wyatt/wrll24.pdf22 Mar 2024: Nonetheless, even Dry Valleys type cryoconite deposits are subject to transportthrough ice dynamics of up to 20 m/yr [41], precluding long-term formations. ... Origins of Life and Evolution of Biospheres 38, 5–21(2008). [20] Maurette, M., Hammer, C., -
Decifer and CSD Editor User Guide
https://www.ccdc.cam.ac.uk/media/decifer.pdf27 Mar 2024: 17. 18. 19. 20. 21. 22. 4.3.2 Compare tab. This tab is unlikely to be useful in most common situations. ... 19. 20. 21. 22. 23. 24. 4.5 CSD-Editor FAQs. 4.5.1 How should I deal with polymeric structures? -
Predicted Properties — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/predicted_properties.html28 Mar 2024: import ccdc >>> Entries = ccdc.io.EntryReader("semiconductors.sqlite") >>> print("%-20s%-20s" % ("Entry","Transfer_integral")) >>> for i, Entry in enumerate(Entries): >>> d = Entry.predicted_properties.semiconductor_properties >>> print("%-20s% -
Particle — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/particle.html28 Mar 2024: Bryant, A. G. P. Maloney, R. A. Sykes, CrystEngComm, 2018,20, 2698-2704, DOI: 10.1039/C8CE00454D. -
Docking and scoring — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/docking.html28 Mar 2024: rotamer = settings.Rotamer(phe3946_rotamer_library.number_of_torsions) >>> rotamer.chi1 = (-76,10,20) >>> rotamer.chi2 = (150,10) >>> rotamer.energy = 5 >>> phe3946_rotamer_library.add_rotamer(rotamer).
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