Iotbx
Web25 apr. 2024 · 1 Answer. You can use Gemmi. import gemmi ccp4_map = gemmi.read_ccp4_map ('my.map') ccp4_map.setup () # optional np_array = numpy.array (ccp4_map.grid, copy=False) # ... ccp4_map.write_ccp4_map ('out.ccp4') The setup () call expands data to the whole unit cell. The numpy array above accesses the data through … WebPython ccp4_map - 3 examples found. These are the top rated real world Python examples of iotbx.ccp4_map extracted from open source projects. You can rate examples to help us improve the quality of examples.
Iotbx
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Webfrom __future__ import absolute_import, division, print_function import iotbx.pdb import mmtbx.model import mmtbx.f_model from iotbx import reflection_file_reader To calculate R-factors we need a model (coordinates, b-factors, atom-type, occupancy, etc.) to obtain calculated structure factors and data (structure factor amplitudes or intensities, R-free … Web29 okt. 2011 · The U.S. Department of Energy's Office of Scientific and Technical Information
Webiotbx.cifis a new software module for the development of applications that make use of the CIF format. Comprehensive tools are provided for input, output and validation of CIFs, as … Web24 jun. 2011 · iotbx.cif is a new software module for the development of applications that make use of the CIF format. Comprehensive tools are provided for input, output and …
Webcctbx_project / iotbx / examples / libtbx_phil_examples.py Go to file Go to file T; Go to line L; Copy path Copy permalink; This commit does not belong to any branch on this … Web16 apr. 2024 · Add an anomalous=None parameter to iotbx.mtz.object.as_miller_arrays(). If this is set to True or False, then the call to milller.set.auto_anomalous() in …
Webthe iotbx (input/output toolbox) module of the cctbx. Given the availability of a clearly defined formal grammar for the CIF syntax (Hall, Spadaccini et al., 2005), it was decided to use the ANTLR parser generator (Parr, 2007) for the automatic generation of …
Web3 nov. 2009 · Thread: [Cctbx-cvs] SF.net SVN: cctbx:[7792] trunk/iotbx Brought to you by: bkpoon, luc_j_bourhis, nksauter, nwmoriarty, phyy-nx. Summary Files Reviews Support Wiki Mailing Lists Tickets Bugs; Feature Requests; Discussion Code t shirt dedicatedWebPosted in the u_jonas7962 community. Business, Economics, and Finance. GameStop Moderna Pfizer Johnson & Johnson AstraZeneca Walgreens Best Buy Novavax SpaceX Tesla t-shirt deli chicagoWeb2 jan. 2024 · We run iotbx tests without CCP4 present on the system. Although the tests are in the iotbx namespace they appear to test mmtbx plugins to iotbx infrastructure. I … philosophical tamil songsWebfrom iotbx import file_reader: f = file_reader.any_file(file_name, force_type="pdb", raise_sorry_if_errors=True) f.assert_file_type("pdb") pdb_in = f.file_object: … t shirt de handballWeb8 apr. 2014 · Thread: [Cctbx-cvs] SF.net SVN: cctbx:[13830] trunk/iotbx/detectors/npy.py philosophical talksWeb1 dec. 2011 · iotbx.cif is a new software module for the development of applications that make use of the CIF format. Comprehensive tools are provided for input, output and validation of CIFs, as well as for ... philosophical teaching statementWeb2 jan. 2024 · We run iotbx tests without CCP4 present on the system. Although the tests are in the iotbx namespace they appear to test mmtbx plugins to iotbx infrastructure. I would argue they therefore belong into mmtbx. Suggest moving tests to mmtbx, which means we do not run them on Jenkins. philosophical teaching models