Iotbx

Author: vkmm

August undefined, 2024

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 repository, and may belong to a fork outside of the repository. Cannot retrieve contributors at this time. 462 lines (363 sloc) 11.8 KB 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 …

Thread: [Cctbx-cvs] SF.net SVN: cctbx:[13830] trunk/iotbx…

Webcctbx_project/iotbx/pdb/atom_selection.py. Go to file. Cannot retrieve contributors at this time. 1122 lines (1024 sloc) 40.8 KB. Raw Blame. """. Tools for creating atom selection … 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 fish nor fowl menu

iotbx.mtz: as_miller_arrays(): auto_anomalous dominates ... - Github

Webiotbx.pdb.hierarchy.root – New pdb hierarchy with its ions anonymized. int – Number of atoms that were anonymized. mmtbx.ions.utils. collect_ions (pdb_hierarchy) ¶ Collects a … Web29 okt. 2011 · 4. Using iotbx.cif. Developers familiar with the built-in dictionary type of the Python programming language (Python Software Foundation, 2011) will be immediately at home with the syntax of the iotbx.cif representation of the CIF model.. The top-level object is iotbx.cif.model.cif, which is the type equivalent to a full CIF file.This contains zero or … Webfrom iotbx.data_manager import DataManager # Load in the DataManager Running as a script. Sometimes you want to save the commands in a script. This avoids typing the same text over and over again if you want to perform some actions on many files. For example, ... fish north andover

Iotbx

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WebThese 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. … 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 …

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Web29 okt. 2011 · The U.S. Department of Energy's Office of Scientific and Technical Information WebPosted in the u_jonas7962 community. Business, Economics, and Finance. GameStop Moderna Pfizer Johnson & Johnson AstraZeneca Walgreens Best Buy Novavax SpaceX Tesla

Webcctbx_project / iotbx / pdb / remark_290_interpretation.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 repository, and may belong to a fork outside of the repository. Cannot retrieve contributors at this time. 88 lines (84 sloc) 3.2 KB 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 …

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 … Webiotbx.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 interconversion with high-level cctbx [Grosse-Kunstleve, Sauter, Moriarty & Adams (2002). J. Appl. Cryst. 35, 126–136] crystallographic objects.The interface to the …

Webfrom iotbx.data_manager import DataManager # Load in the DataManager Running as a script. Sometimes you want to save the commands in a script. This avoids typing the …

Web31 jan. 2012 · Thread: [Cctbx-cvs] SF.net SVN: cctbx:[9386] trunk/iotbx/detectors 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 fish noodle soup recipe c and c by the lakeWebiotbx - file readers and writers The iotbx module contains most tools for reading and writing the standard formats used by both macromolecular and small-molecule … iotbx.cif is a module for the development of applications that make use of the CIF … iotbx.map_model_manager. get_normalization_data_for_unit_binning … iotbx.pdb¶ API documentation¶ Input methods and objects¶ iotbx.pdb. input … class iotbx.xds.xparm. reader ¶ A class to read the XPARM.XDS/GXPARM.XDS … fish north atlanticWeb1 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 … fish north canton ohioWebYou will find the available purchasing options set by the seller for the domain name iotbx.com on the right side of this page. Step 2: We facilitate the transfer from the seller to you. Our transfer specialists will send you tailored transfer instructions and assist you with the process to obtain the domain name. c and c camping lincoln alWebfrom 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: … c and c building suppliesWebNo matter what kind of domain you want to buy, lease or rent, we make the transfer simple and safe. It works like this: Step 1: You buy, rent or lease the domain name. You will find … c and c bridle