diff --git a/ChangeLog.rst b/ChangeLog.rst index 1f636c2..6dc53f3 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -1,3 +1,16 @@ +0.7 - 2023-01-25 +================ + - More examples have been added to demonstrate interconversion between + mmCIF and BinaryCIF, and to validate mmCIF files. + - A utility script ``util/make-mmcif.py`` has been added which can add + minimal ModelCIF-related tables to an mmCIF file, to add in deposition. + - The reader is now more robust when handling files that are not ModelCIF + compliant (#31). + - The ``exptl`` table is no longer written to output mmCIF files, to conform + with wwPDB's recommendation. Instead, the + ``struct.pdbx_structure_determination_methodology`` data item denotes + that the model is computational (#29). + 0.6 - 2022-08-03 ================ - :class:`ihm.ChemComp` now allows for custom chemical components to be @@ -60,4 +73,4 @@ - First stable release. This provides support for single-chain single-template models using the ModelCIF extension dictionary, and will read and write mmCIF and BinaryCIF files that are compliant with the PDBx and - ModelCIF dictionaries. + :class:`modelcif.alignment.HHblitsEValue`. diff --git a/modelcif/__init__.py b/modelcif/__init__.py index df2550c..6dc5bf5 100644 --- a/modelcif/__init__.py +++ b/modelcif/__init__.py @@ -4,7 +4,7 @@ import modelcif.data import sys -__version__ = '0.6' +__version__ = '0.7' class System(object): diff --git a/setup.py b/setup.py index cf395dc..d7b1776 100755 --- a/setup.py +++ b/setup.py @@ -6,7 +6,7 @@ from distutils.core import setup import sys -VERSION = "0.6" +VERSION = "0.7" copy_args = sys.argv[1:]