Search

28 Mar 2024: 3.82 | 949 | aromatic-aliphatic amide [2, 6, 1, 8, 18, 7, 20, 14] | any OH [19, 13] 3.00 | 112 | aromatic-aliphatic amide [2, 6, 1, 8, 18, 7, 20, ... amide N-H [8, 1, 7, 20, 18, 14] 2.41 | 1810 | aromatic-aliphatic amide [2, 6, 1, 8, 18, 7, 20, 14] | any

28 Mar 2024: Over 20 years of seed investing at the University of Cambridge has seen a host of successes including XO1, BlueGnome, Cambridge CMOS Sensors, Lumora, Quethera and VocalIQ.

28 Mar 2024: and 20 students; more interactive than lectures, they typically involve student participation through. ... 20. Plagiarism. Candidates must read and consider fully the University policy on plagiarism.

28 Mar 2024: print(len(fxa_cavities[0].features)) 50 >>> print(fxa_cavities[0].features) (Feature(acceptor at Coordinates(x=30.506, y=20.947, z=20.879)),. It is possible to find out ... f = fxa_cavities[0].features[0] >>> print(f.type) acceptor >>>

28 Mar 2024: Distance 0.45 contacts 23 Distance 0.46 contacts 22 Distance 0.47 contacts 20 Distance 0.48 contacts 25 Distance 0.49 contacts 11. ... print(hit.match_atoms()) [Atom(C1), Atom(C3), Atom(C2), Atom(C9), Atom(C8), Atom(O3), Atom(O4)] >>>

28 Mar 2024: up Axes fig = plt.figure(figsize=(10., 10.)) # 3D graph instance ax = fig.add_subplot(111, projection='3d') # 3D Axes ax.set_xlim3d(-20, 20) ax.set_ylim3d(-20, 20) ... set_zlim3d(-20, 20) ax.set_xlabel('X axis') ax.set_ylabel('Y axis') ax.set_zlabel('Z

28 Mar 2024: that the angle between the planes defined above should be between 0 and 20 degrees:. >>> ... After 20 seconds the search will be terminated, and we can inspect the hits:. >>>

28 Mar 2024: settings = Pharmacophore.Search.Settings() >>> settings.max_hit_structures = 20 >>> settings.max_hits_per_structure = 1 >>> settings.max_hit_rmsd = 1.0 >>> searcher = Pharmacophore.Search(settings). ... database=feature_db) >>> print(len(hits)) 20 >>>

28 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.

28 Mar 2024: rotamer = Docker.Settings.Rotamer(3) rotamer.energy = 10 rotamer.chi1 = (-60,) rotamer.chi2 = (-75, 10) rotamer.chi3 = (-90, 10, 20) assert(rotamer.chi1.angle, -60) assert(rotamer.chi2.min_delta, 10) ... assert(rotamer.chi3.max_delta, 20).

28 Mar 2024: 20, inclusion='AnyAtomIncluded') >>> print(len(sliced.components)) 84 >>> sliced = crystal.slicing(MolecularDescriptors.atom_plane(crystal.molecule.heavy_atoms)) >>> print(len(sliced.components)) 20.

28 Mar 2024: For each of the 20 most similar cavities the PDB identifiers of the bound ligands are printed. ... pockets. Usage: python cavity_compare_db_screening_ligands.py --query query_cavity --db_path database_file --max_comparisons 20 ''' ########################

28 Mar 2024: slicing(plane, thickness=10.0, width=20.0, displacement=0.0, inclusion='CentroidIncluded')The molecules of the crystal subtended by slicing along a plane.

28 Mar 2024: and 20 students; more interactive than lectures, they typically involve student participation through. ... 20. Plagiarism. Candidates must read and consider fully the University policy on plagiarism.

28 Mar 2024: else: print(''20, 'TEMP', dtmp, ''20) return dtmp #############################################################################. [docs]class Timer(object): '''Collects timing statistics for the run. Two methods of instrumenting code are available: a

28 Mar 2024: 18/19. 22 (£3.5M). 0. 23. £46M. 19/20. 15. 2. 7 (£2.6M). ... £56.1M. 20/21. 3 (£44.4M). 1. 35. £59.8M. 21/22. 4 (£0.2M). 0.

28 Mar 2024: 16, TRP=17, TYR=18, VAL=19, UNK=20, ASX=21, GLX=22, NAD=23, NAP=24, FMN=25, MTX=26, HEM=27, ATP=28, COA=29, C=30, A=31,

28 Mar 2024: Public 1Nuclear workers (under 18 yrs) 20. 3. Rethinking low-level radiation risks Sannah H.P. ... 54,pp. 379–401, 9 2015. [20] National Research Council, Health Risks from Ex-posure to Low Levels of Ionizing Radiation: BEIRVII Phase 2.

28 Mar 2024: Navigation. ». Source code for ccdc.docking. # coding=utf8 # # This code is Copyright (C) 2015 The Cambridge Crystallographic Data Centre # (CCDC) of 12 Union Road, Cambridge CB2 1EZ, UK and a proprietary work of CCDC. # This code may not be used,

28 Mar 2024: freq); # if ($rel_freq > 0.4) { # if (($std_dev/$rel_freq) < 0.20) { # $rel_freq = "$rel_freq ($std_dev)"; # } else { $rel_freq = $space; } # } else { # if ($std_dev < 0.3) { # $rel_freq = "

28 Mar 2024: docs] def slicing(self, plane, thickness=10.0, width=20.0, displacement=0.0, inclusion='CentroidIncluded'): '''The molecules of the crystal subtended by slicing along a plane.

28 Mar 2024: CentOS Stream 8. Ubuntu LTS 20 and 22. We do not support Wayland as a display server protocol (see known issues).

28 Mar 2024: The Research Project 16. The BBS Dissertation 19. Social Aspects of life in the Genetics Department 20. ... Minor Subject 16%. Dissertation 20%. See page 19 for information about the dissertation.

28 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%

28 Mar 2024: Written and approved 24 May 2017, revised 27 November 2023, approved by Ecological Advisory Panel 27 February 2024,approved by Environmental Sustainability Strategy Committee 20 March 2024. ... Strategy Committee 20 March 2024.

28 Mar 2024: of matching clusters of 20 molecules per chemically different component.

28 Mar 2024: query.clear() >>> query.add_compound_name('acetylcholine') >>> print(len(query.search())) 20. When using the ‘exact’ mode we get two fewer hits. >>>

28 Mar 2024: National Procedures. Standing. Right to be heard – Art 11. Access to file – Art 19 and 20.

28 Mar 2024: 0:02:04 (expected 3:50:00) 13323 found so far 9000 ( 1%). 0:02:20 (expected 3:49:27) 15037 found so far 10000 ( 1%).

28 Mar 2024: Bryant, A. G. P. Maloney, R. A. Sykes, CrystEngComm, 2018,20, 2698-2704, DOI: 10.1039/C8CE00454D.

28 Mar 2024: t_c32.histogram() (0, 1, 0,. , 20, 25, 39). The individual CSD structures used in the analysis can be retrieved using the hit function. >>>

28 Mar 2024: paracetamol_hydrate = csd.molecule('HUMJEE') >>> landscape = list(landscape_generator.generate(paracetamol_hydrate)) >>> print([len(m.atoms) for m in landscape[0].molecule.components]) [3, 20].

28 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).

28 Mar 2024: H. O. O. -. 0.83. 0.20 (2). 0.89. OQURAU. Generated with Qt.

28 Mar 2024: 0.20 polar_shell_correction: 0.50 apolar_shell_correction: 0.00.