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schwede
openstructure
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f1aae2eb
Commit
f1aae2eb
authored
6 years ago
by
Gerardo Tauriello
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SCHWED-3407: Doc and changelog updated.
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CHANGELOG.txt
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-5
8 additions, 5 deletions
CHANGELOG.txt
modules/doc/contributing.rst
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modules/doc/contributing.rst
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CHANGELOG.txt
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Changes in Release <RELEASE NUMBER>
Changes in Release <RELEASE NUMBER>
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
*
nonstandard C++ module was moved from ost.conop to ost.mol.alg. This implies
*
Introduced recipes to generate Docker and Singularity containers.
change in the API. Mapping functions CopyResidue, CopyConserved and
* Moved "nonstandard" functions from ost.conop to ost.mol.alg. Mapping
CopyNonConserved that were previousely imported from ost.conop are now
functions CopyResidue, CopyConserved and CopyNonConserved that were
to be imported from ost.mol.alg.
previousely imported from ost.conop are now
to be imported from ost.mol.alg.
* Removed habit of changing secondary structure of entities when loading
* Removed habit of changing secondary structure of entities when loading
from mmCIF PDB files. Before, OST would turn secondary structure 'EEH'
from mmCIF PDB files. Before, OST would turn secondary structure 'EEH'
into 'ECH' to make it look nicer in DNG. Now, 'EEH' stays 'EEH'.
into 'ECH' to make it look nicer in DNG. Now, 'EEH' stays 'EEH'.
* Added Molck API to the ost.mol.alg module.
* Added Molck API to the ost.mol.alg module.
* Extended lDDT API in ost.mol.alg module to reproduce functionality of lddt
* Extended lDDT API in ost.mol.alg module to reproduce functionality of lddt
binary.
binary
and fixed issues in stereo chemistry checks there
.
* Added `actions` interface including one action to compare structures.
* Added `actions` interface including one action to compare structures.
* Updated HHblits binding (minor changes for optional arguments).
* Updated HHblits binding (minor changes for optional arguments).
* Added functionality to find optimal membrane position of protein.
* Support for recent compilers which use C++-11 by default.
* Several minor bug fixes, improvements, and speed-ups.
Changes in Release 1.7.1
Changes in Release 1.7.1
--------------------------------------------------------------------------------
--------------------------------------------------------------------------------
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modules/doc/contributing.rst
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...
@@ -143,7 +143,7 @@ To get the new action recognised by ``make`` to be placed in
...
@@ -143,7 +143,7 @@ To get the new action recognised by ``make`` to be placed in
:file:`stage/libexec/openstructure`, it has to be registered with ``cmake`` in
:file:`stage/libexec/openstructure`, it has to be registered with ``cmake`` in
:file:`actions/CMakeLists.txt`:
:file:`actions/CMakeLists.txt`:
.. code-block:: c
onsol
e
.. code-block:: c
mak
e
:linenos:
:linenos:
add_custom_target(actions ALL)
add_custom_target(actions ALL)
...
@@ -165,10 +165,10 @@ directory. There are only two really important points:
...
@@ -165,10 +165,10 @@ directory. There are only two really important points:
environment your action is running in. Actions are called by :file:`ost`,
environment your action is running in. Actions are called by :file:`ost`,
that's enough to get everything just right.
that's enough to get everything just right.
* The
action
of your action
happen
s in the
ost
branch of the script.
* The
code
of your action
belong
s in the
:attr:`__main__`
branch of the script.
Your action will have own function definitions, variables and all the bells
Your action will have own function definitions, variables and all the bells
and whistles. Hiding behind
ost
keeps everything separated and
makes
and whistles. Hiding behind
:attr:`__main__`
keeps everything separated and
things easier when it gets to debugging. So just after
makes
things easier when it gets to debugging. So just after
.. code-block:: python
.. code-block:: python
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