cctbx 2022.9+ds2+~3.11.2+ds1-5 source package in Ubuntu
Changelog
cctbx (2022.9+ds2+~3.11.2+ds1-5) unstable; urgency=medium * Team upload. [ Picca Frédéric-Emmanuel ] * d/control: added B-D python3-pymol [ Stefano Rivera ] * Patch: setuptools > 60 support (avoid pip breaking setuptools distutils magic). (Closes: #1024859) * Patch: Use the python3 binary when calling pip. * Depend on python3-h5py in the 2nd autopkgtest. -- Stefano Rivera <email address hidden> Sat, 24 Dec 2022 21:14:52 -0400
Upload details
- Uploaded by:
- Debian Science Team
- Uploaded to:
- Sid
- Original maintainer:
- Debian Science Team
- Architectures:
- amd64 arm64 armel armhf i386 ppc64 ppc64el riscv64 s390x
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
Series | Published | Component | Section |
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Downloads
File | Size | SHA-256 Checksum |
---|---|---|
cctbx_2022.9+ds2+~3.11.2+ds1-5.dsc | 3.1 KiB | 9202e37bc57b20dbc6bd4cb65fb0b52328d6d25fa4b4fba2820c38d91a29c8f7 |
cctbx_2022.9+ds2+~3.11.2+ds1.orig-dxtbx.tar.xz | 334.1 KiB | 7b3d6b681b9806248f448c01a9f34c49506fcce1178360eb9d474bccbb0d2e91 |
cctbx_2022.9+ds2+~3.11.2+ds1.orig.tar.xz | 21.5 MiB | 406a624844f87f4405daf94b430e88beb2c9a3a642ad4ba8cf683a8ffa0418c4 |
cctbx_2022.9+ds2+~3.11.2+ds1-5.debian.tar.xz | 407.8 KiB | 41083b750c56b12e17386df52881d19bbc2033b7ad739b96670233506e0ce065 |
Available diffs
No changes file available.
Binary packages built by this source
- libcctbx-dev: Computational Crystallography Toolbox - headers
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
crystallo graphy.
- 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
validatio n server (and Phenix equivalent) is also located here.
- omptbx: OpenMP interface.
- rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
diffracti on, 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 everythings needed to link against the cctbx libraries.
- libcctbx0: Computational Crystallography Toolbox - runtime libraries
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
crystallo graphy.
- 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
validatio n server (and Phenix equivalent) is also located here.
- omptbx: OpenMP interface.
- rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
diffracti on, 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 the cctbx runtime libraries.
- libcctbx0-dbgsym: debug symbols for libcctbx0
- python3-cctbx: 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
crystallo graphy.
- 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
validatio n server (and Phenix equivalent) is also located here.
- omptbx: OpenMP interface.
- rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
diffracti on, 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.
- python3-cctbx-dbgsym: debug symbols for python3-cctbx