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]
new top-level mmtbx (macromolecular toolbox)
- experimental, interfaces expected to change substantially
- automatic mask determination
- bulk solvent correction
- simple maximum likelihood target
- stereochemistry restraints:
- bond, angle, dihedral, chirality, planarity, repulsion
cctbx.miller:
- new array.common_sets()
- new array.as_anomalous()
- new array.correlation()
- array.anomalous_signal() with binning
cctbx.crystal.symmetry:
- new is_similar_symmetry()
cctbx.crystal.neighbors_simple_pair_generator,
cctbx.crystal.neighbors_fast_pair_generator:
- changed to support a simple scheme for adding up gradients
of bonded and nonbonded interactions that also works for
atoms on special positions
cctbx.crystal.distance_ls:
- prototype distance-least-squares
- at this point mainly a regression test for bond residual
and gradient calculations
iotbx:
- new command iotbx.reflection_statistics
- computation of reflection file statistics:
completeness
correlation
anomalous signal
overall and in bins, for each array and for all pairs of arrays
- iotbx.xplor map reading and writing completely reorganized and generalized
- new option.parser.show_help()
scitbx.math:
- new matrix_inversion_in_place for N*N matrices
scitbx.array_family:
- new flex.random_permutation()
- flex..count() for numeric types and flex.std_string
- new scitbx.math.bessel.ln_of_i0()
Adjustments for Mac OS 10.3 Xcode tools v1.2
Latest Boost CVS (2004_05_13_0200)
Latest CCP4 I/O CVS (2004_05_10_0840)
Latest SCons CVS (2004_05_13_0152)