deb_control_files:
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deb_fields:
Architecture: amd64
Depends: ca-certificates, libcctbx-dev (= 2024.10+ds2+~3.22.1+ds1-4), libcctbx0
(= 2024.10+ds2+~3.22.1+ds1-4), python3-legacy-cgi, python3-pycbf (>= 0.9.7+dfsg1-2~),
python3 (<< 3.14), python3 (>= 3.12~), python3-h5py (>= 3), python3-hdf5plugin,
python3-matplotlib, python3-mrcfile, python3-natsort, python3-numpy (>= 1:1.25.0),
python3-numpy-abi9, python3-nxmx, python3-ordered-set, python3-pil, python3-pint,
python3-procrunner, python3-pymol, python3-requests, python3-scipy, python3-six,
python3-tqdm, python3-wxgtk4.0, python3:any, libantlr3c-3.4-0 | libantlr3c-antlrdbg-3.4-0,
libboost-numpy1.83.0 (>= 1.83.0), libboost-numpy1.83.0-py312, libboost-numpy1.83.0-py313,
libboost-python1.83.0 (>= 1.83.0), libboost-python1.83.0-py312, libboost-python1.83.0-py313,
libboost-thread1.83.0 (>= 1.83.0), libboost-timer1.83.0 (>= 1.83.0), libc6 (>=
2.38), libcbf1t64 (>= 0.9.7+dfsg1-2~), libccp4c0t64 (>= 8.0.0), libgcc-s1 (>=
4.0), libgl1, libglu1-mesa | libglu1, libhdf5-103-1t64, libmmdb2-0 (>= 2.0.22),
libssm2 (>= 1.4.0), libstdc++6 (>= 14)
Description: |-
Python Toolbox for crystallography
Computational Crystallography Toolbox contains following modules:
- annlib_adaptbx:
- boost_adaptbx: wrappers for Boost functionality in CCTBX
- cbflib_adaptbx:
- ccp4io_adaptbx:
- cctbx: Libraries for general crystallographic applications,
useful for both small-molecule and macro-molecular
crystallography.
- cma_es:
- crys3d: Modules for the display of molecules, electron density,
and reciprocal space data.
- dxtbx: The Diffraction Image Toolbox, a library for handling
X-ray detector data of arbitrary complexity from a variety
of standard formats.
- fable: Fortran EMulation library for porting Fortran77 to C++.
- gltbx: Python bindings for OpenGL
- iotbx: Working with common crystallographic file formats.
- libtbx: The build system common to all other modules. This includes
a very thin wrapper around the SCons software construction tool.
It also contains many useful frameworks and utilities to simplify
application development, including tools for regression testing,
parallelization across multiprocessor systems and managed clusters,
and a flexible, modular configuration syntax called PHIL
(Python Hierarchial Interface Language) used throughout the CCTBX.
- mmtbx: Functionality specific to macromolecular crystallography.
This includes all of the machinery required for setup of
geometry restraints, bulk solvent correction and scaling,
analysis of macromolecular diffraction data, calculation of
weighted map coefficients, and most of the methods implemented
in phenix.refine. The majority of infrastructure for the MolProbity
validation server (and Phenix equivalent) is also located here.
- omptbx: OpenMP interface.
- rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
diffraction, given the reciprocal space vectors.
- scitbx: General scientific calculations. his includes a family of
high-level C++ array types, a fast Fourier transform library,
and a C++ port of the popular L-BFGS quasi-Newton minimizer.
- smtbx: Small-Molecule crystallography.
- spotfinder:
- tbxx:
- wxtbx: wxPython controls used in the Phenix GUI and various
utilities
.
This package provide a selected collection of python modules from the cctbx project.
Homepage: https://github.com/cctbx/cctbx_project
Installed-Size: '498120'
Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Package: python3-cctbx
Priority: optional
Section: python
Source: cctbx
Version: 2024.10+ds2+~3.22.1+ds1-4
srcpkg_name: cctbx
srcpkg_version: 2024.10+ds2+~3.22.1+ds1-4