Under Unix install a selfx distribution using the perl command, for example:
perl cctbx_redhat80.selfxUnder Windows exe distributions are installed simply by running them (the matching Python version must be installed already).
The installer must be run on the platform where it is used. The installed package may be used over the network, but only if the pathnames to the installation directory are identical on the server and the client.
perl cctbx_python_23_bundle.selfxThis installs Python 2.3 and all cctbx modules from scratch.
Alternative for manual installation: cctbx_python_23_bundle.tar.gz [Installation instructions]
perl cctbx_python_222_bundle.selfxThis installs Python 2.2.2 and all cctbx modules from scratch.
Alternative for manual installation: cctbx_python_222_bundle.tar.gz [Installation instructions]
perl cctbx_bundle.selfxThis installs all cctbx modules from scratch. Python 2.2.1 or higher must be pre-installed on the target machine. Known to work under Redhat 8.0 with the Python version that ships with the operating system (/usr/bin/python).
Alternative for manual installation: cctbx_bundle.tar.gz [Installation instructions]
cctbx.xray:
- new xray.structure.asu_mappings() method
- sampled_model_density, fast_gradients:
- speed improvements:
- more sophisticated determination of sampling box
- loop over points in sampling box optimized by pre-computing
some intermediates
- manually inlined code
- distinction between wing_cutoff and rho_cutoff
- rho_cutoff is determined as the average Gaussian
Fourier transform at zero * wing_cutoff
and the same rho_cutoff is used for all scatterers
- default wing_cutoff=1.e-3
- distinction of u_base and u_extra:
- u_extra determined as u_base - u_radius_min
- sampling of negative density is now supported
cctbx.crystal:
- find_best_cell: faster algorithm for monoclinic space groups
- new crystal.direct_space_asu (floating-point parameterization)
- new crystal.direct_space_asu.asu_mappings
- new crystal.neighbors_simple_pair_generator
- new crystal.neighbors_fast_pair_generator
cctbx.miller:
- binner.bin_legend(): support formatting of binned data
- class binned_data, grouping the binner and binned data
- set.completeness(use_binning=True)
- set.use_binning_of(): same binning for different array of miller indices
cctbx.euclidean_model_matching:
- new model_matches.transform_model()
cctbx.uctbx:
- new unit_cell::shortest_vector_sq()
scitbx.math:
- new scitbx.math.minimum_covering_sphere
(Python N-dimensional, C++ 3-dimensional)
- new scitbx::math::bessel::i1_over_i0()
Moved from cctbx to scitbx:
- array_family.flex.vec3_double
- cctbx.matrix -> scitbx.matrix
libtbx:
- warn if scons is in source directory but packages required
for build are missing
- libtbx.itertbx: wrapper/emulator for Python 2.3 itertools
- use -ffast-math (gcc) and -fast (Tru64 cxx)
Latest Boost CVS (2004_02_17_1555)
Latest SCons CVS (2004_02_17_1546)