Source: cctbx Maintainer: Debian Science Maintainers Uploaders: Picca Frédéric-Emmanuel , Radostan Riedel , Roland Mas , Section: science Priority: optional Build-Depends: architecture-is-64-bit, debhelper-compat (= 13), dh-exec, dh-python, dh-sequence-numpy3, dh-sequence-python3, jq, libann-cctbx-dev (>= 1.1.2+doc-9~), libantlr3c-dev, libboost-dev, libboost-numpy-dev, libboost-python-dev, libboost-thread-dev, libboost-timer-dev, libcbf-dev (>= 0.9.7+dfsg1-2~), libclipper-dev, libeigen3-dev, libexpat1-dev, libfftw3-dev, libgl-dev, libglu1-mesa-dev, libhdf5-dev, liblz4-dev, libssm-dev, libtiff-dev, libtool, pybind11-dev, python3-all-dev:any, python3-biopython, python3-h5py (>= 3) , python3-hdf5plugin, python3-matplotlib, python3-mrcfile, python3-msgpack, python3-natsort, python3-numpy, python3-nxmx, python3-ordered-set, python3-pint, python3-pip, python3-procrunner, python3-psutil, python3-pycbf (>= 0.9.7+dfsg1-2~), python3-pymol, python3-pytest , python3-requests, python3-scipy, python3-setuptools, python3-six, python3-tqdm , python3-wxgtk4.0, rsync, scons, Standards-Version: 4.6.2 Vcs-Browser: https://salsa.debian.org/science-team/cctbx Vcs-Git: https://salsa.debian.org/science-team/cctbx.git Homepage: https://github.com/cctbx/cctbx_project Rules-Requires-Root: no Package: libcctbx0 Architecture: amd64 arm64 armel armhf i386 ppc64 ppc64el riscv64 s390x Section: libs Depends: ${misc:Depends}, ${shlibs:Depends}, Description: 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 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 the cctbx runtime libraries. Package: libcctbx-dev Architecture: amd64 arm64 armel armhf i386 ppc64 ppc64el riscv64 s390x Depends: libann-cctbx-dev, libboost-python-dev, libccp4-dev, libcctbx0 (= ${binary:Version}), ${misc:Depends}, Section: devel Description: 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 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 everythings needed to link against the cctbx libraries. Package: python3-cctbx Architecture: amd64 arm64 armel armhf i386 ppc64 ppc64el riscv64 s390x Section: python Depends: ca-certificates, libcctbx-dev (= ${binary:Version}), libcctbx0 (= ${binary:Version}), python3-pycbf (>= 0.9.7+dfsg1-2~), ${misc:Depends}, ${python3:Depends}, ${shlibs:Depends}, 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.