MDT change history
MDT 5.2 10-29-2012
- A new method Table.get_array_view() allows the raw MDT table data
to be modified using NumPy functions.
- Disulfide bonds can now be considered in the calculation of atom bond
separation, by the AtomBondSeparation feature and
the Table.add_alignment() method.
- Atoms in atom tuples can now be restricted to match only in certain
residue types.
MDT 5.1 09-29-2011
- All atom features, with the exception of AtomType,
are now considered undefined if the atom coordinates are equal to the
Modeller undefined value (-999.0).
- Support for bond separation, with a new AtomBondSeparation
feature and a bond_span_range argument to Table.add_alignment().
- Support Python 3 (requires Modeller 9.10 or later).
- “scons test” now reports the Python coverage (and also C coverage,
if using gcc and adding “coverage=true” to the scons command line).
- The Table constructor now takes an optional ‘shape’ argument,
which acts identically to that accepted by Table.reshape().
MDT 5.0 03-31-2011
- First open source (GPLv2) release.
- Duplicated Modeller Fortran code removed; MDT now uses Modeller itself for
handling of protein structures and alignments.
- Added scans over atom pairs, atom tuples, atom tuple pairs, and chemical
bonds.
- Complete documentation, examples, and unit tests added.
- TOP scripting interface replaced with Python.
- Support storing MDT tables in binary form, using the HDF5 format and
library.
MDT 4.0 April 2002
- Reorganize directory structure.
MDT 3.1 March 2002
- Allow for a structure to be assessed against an existing MDT table.