diff --git a/actions/doc/index.rst b/actions/doc/index.rst index e13e33b5f76d397e0a2cd48f313a4932f8c5d23c..a456b7ef0bc7c2aca6da44759d93a0343791230d 100644 --- a/actions/doc/index.rst +++ b/actions/doc/index.rst @@ -138,7 +138,7 @@ objects is performed in the :class:`~promod3.core.pm3argparse.PM3ArgumentParser` class as described in detail :meth:`here <promod3.core.pm3argparse.PM3ArgumentParser.AddFragments>`. -The default modelling pipeline in ProMod3 is optimized to generate a gap-free +The default modelling pipeline in |project| is optimized to generate a gap-free model of the region in the target sequence(s) that is covered with template information. Terminal extensions without template coverage are negelected. You can enforce a model of the full target sequence(s) by adding ``-t``. diff --git a/core/doc/index.rst b/core/doc/index.rst index 6d0e8f25a432e159e8cb0406121e46e998c31527..22caa264b61a15af68cff56d300b88c0ad18f97f 100644 --- a/core/doc/index.rst +++ b/core/doc/index.rst @@ -14,7 +14,7 @@ .. limitations under the License. -:mod:`~promod3.core` - ProMod3 Core Functionality +:mod:`~promod3.core` - |project| Core Functionality ================================================================================ .. module:: promod3.core diff --git a/doc/container/docker.rst b/doc/container/docker.rst index 808ed9c1ac447895a33cbb241407547e21759b51..9ac5eb13cbe5e708540972c8258f5a56da2d4245 100644 --- a/doc/container/docker.rst +++ b/doc/container/docker.rst @@ -17,10 +17,10 @@ Docker ====== -ProMod3's Own Docker Registry ------------------------------ +|project|'s Own Docker Registry +------------------------------- -For the current stable release of ProMod3, its +For the current stable release of |project|, its `GitLab project <https://git.scicore.unibas.ch/schwede/ProMod3>`_ is equipped with its own `registry for Docker images <https://git.scicore.unibas.ch/schwede/ProMod3/container_registry>`_. There you can explore the current tag and simply pull a ready made built: diff --git a/doc/container/index.rst b/doc/container/index.rst index 7733b34e752a23c016576660ead8459984b9b88a..352f285c61983703f7d58c714e864ad65c885a67 100644 --- a/doc/container/index.rst +++ b/doc/container/index.rst @@ -14,11 +14,11 @@ .. limitations under the License. -ProMod3 and Containers +|project| and Containers ====================== -ProMod3 offers build recipes for Docker and Singularity in +|project| offers build recipes for Docker and Singularity in <PATH_TO_PROMOD3_CHECKOUT>/container. To avoid code duplication, the Singularity container bootstraps from the Docker one and adds some sugar on top. diff --git a/doc/container/singularity.rst b/doc/container/singularity.rst index 8999dcc45b033ce13018725478f17af851462344..30d7e8538d76e3ed66aeb3a97859262a7d105ce4 100644 --- a/doc/container/singularity.rst +++ b/doc/container/singularity.rst @@ -31,9 +31,9 @@ Available apps This container includes the following apps: * **OST** - OpenStructure executable - * **PM** - ProMod3 executable - * **IPython** - OST/ProMod3-powered iPython shell - * **Notebook** - A Jupyter notebook playground with OST, ProMod3 and nglview + * **PM** - |project| executable + * **IPython** - OST/|project|-powered iPython shell + * **Notebook** - A Jupyter notebook playground with OST, |project| and nglview * **lDDT** - The Local Distance Difference Test * **Molck** - Molecular checker * **ChemdictTool** - Creating or update a compound library @@ -50,7 +50,7 @@ Eg.: singularity run-help --app PM promod.img -To list all available ProMod3 modelling actions: +To list all available |project| modelling actions: .. code-block:: bash diff --git a/doc/index.rst b/doc/index.rst index ae8ba3bd5ae4e82361720ef8d7cedf0becb8085b..cb7b8e6cf2eb36e5228bf9081780ddfbc2eb54e1 100644 --- a/doc/index.rst +++ b/doc/index.rst @@ -17,7 +17,7 @@ ProMod3 ======= -ProMod3 is a modelling engine based on the `OpenStructure <https://openstructure.org>`_ [biasini2013]_ +|project| is a modelling engine based on the `OpenStructure <https://openstructure.org>`_ [biasini2013]_ computational structural biology framework that can perform all steps required to generate a protein model by homology. Its modular design aims at implementing flexible modelling pipelines and fast prototyping of novel diff --git a/doc/user_contributions.rst b/doc/user_contributions.rst index ed8b59091b5cc8eafb90bb3908ade584f8643bf7..cbd88335d1181e784f390fba9116f9298321fe3b 100644 --- a/doc/user_contributions.rst +++ b/doc/user_contributions.rst @@ -16,11 +16,11 @@ Contributing ================================================================================ -Please contact the ProMod3 developers if you implemented a modelling pipeline +Please contact the |project| developers if you implemented a modelling pipeline that you believe is worth sharing with other users. They can review the code and add it to the repository at: https://git.scicore.unibas.ch/schwede/ProMod3. Consider opening an account for the GitLab instance at sciCORE, University of Basel if -you directly want to contribute to ProMod3's core features. You can find more +you directly want to contribute to |project|'s core features. You can find more information on that matter in the developer section of the documentation (:ref:`how-to-contribute`). diff --git a/loop/doc/structure_db.rst b/loop/doc/structure_db.rst index 152ef605acc54a8f40f42358d897511bd5366958..edb31a871397070dca0dce86fdc3d630713a4524 100644 --- a/loop/doc/structure_db.rst +++ b/loop/doc/structure_db.rst @@ -21,7 +21,7 @@ Structural Data The :class:`StructureDB` serves as a container for structural backbone and sequence data. Custom accessor objects can be implemented that relate -arbitrary features to structural data. Examples provided by ProMod3 include +arbitrary features to structural data. Examples provided by |project| include accession using matching stem geometry (see: :class:`FragDB`) or sequence features (see: :class:`Fragger`). Besides backbone and sequence data, derived features can diff --git a/modelling/doc/algorithms.rst b/modelling/doc/algorithms.rst index 347634f17a74d4c91ebcc8ddc1337631fc831f87..b36bf5bb77ef1ee30a716469a803e652a4420a5e 100644 --- a/modelling/doc/algorithms.rst +++ b/modelling/doc/algorithms.rst @@ -152,7 +152,7 @@ common rigid subsets of positions. De Novo Modelling -------------------------------------------------------------------------------- -ProMod3 provides algorithms for sampling and fragment detection. +|project| provides algorithms for sampling and fragment detection. Here we provide an object, that facilitates fragment detection and caching, as well as a convenient function to combine the functionalities into an example pipeline. @@ -168,7 +168,7 @@ Motif Finder -------------------------------------------------------------------------------- Distinct spatial arrangements of atoms or functional groups are key for protein -function. For their detection, ProMod3 implements the MotifFinder algorithm +function. For their detection, |project| implements the MotifFinder algorithm which is based on geometric hashing as described by Nussinov and Wolfson [nussinov1991]_. The algorithm consists of a learning stage, a detection stage and a refinement stage. diff --git a/sidechain/doc/graph.rst b/sidechain/doc/graph.rst index a5efe680a608e11d7d6327e085beb150ef2b251b..5ac809fbc077156ab70a668e877073bfd8200765 100644 --- a/sidechain/doc/graph.rst +++ b/sidechain/doc/graph.rst @@ -22,7 +22,7 @@ Rotamer Graph Once having a frame representing the rigid parts, the internal energies in rotamer groups can be calculated. To come to a final solution of the sidechain modelling problem, the pairwise energies also have to be evaluated and an -overall solution has to be found. ProMod3 implements a +overall solution has to be found. |project| implements a :class:`promod3.core.GraphMinimizer` that allows to find solutions using tree decomposition, A* and Monte Carlo algorithms. diff --git a/sidechain/doc/index.rst b/sidechain/doc/index.rst index ffa2e04e54787a957c1c45db9ff6b8822613110d..cb13f38a7a610c1e11deb9e6b917fba4a858652e 100644 --- a/sidechain/doc/index.rst +++ b/sidechain/doc/index.rst @@ -25,7 +25,7 @@ Tools and algorithms to model sidechains given backbone coordinates. The full module is heavily based on SCWRL4 [krivov2009]_ . The according paper describes the modelling of sidechains using two different rotamer models. A rigid model, -as well as a flexible model. Both models are implemented in ProMod3 and can be +as well as a flexible model. Both models are implemented in |project| and can be applied in flexible ways. The following code fragment shows an example of a basic sidechain reconstruction diff --git a/sidechain/doc/loading.rst b/sidechain/doc/loading.rst index 1e18fcdf2833cccd7f93ed3cec6c7f1eb745cf13..e6f482432af0b56d3ca6123c2718820e28a34247 100644 --- a/sidechain/doc/loading.rst +++ b/sidechain/doc/loading.rst @@ -19,18 +19,18 @@ Loading Rotamer Libraries .. currentmodule:: promod3.sidechain -There are several rotamer libraries that can be used in ProMod3. ProMod3 +There are several rotamer libraries that can be used in |project| . |project| is optimized for the use with backbone dependent rotamer libraries such as the 2010 library provided by the Dunbrack lab [shapovalov2011]_. You can request a licence `here <http://dunbrack.fccc.edu/bbdep2010/>`_ and generate such a library as described in -extras/data_generation/rotamer_library/README. Alternatively, ProMod3 +extras/data_generation/rotamer_library/README. Alternatively, |project| provides its own backbone dependent or backbone independent libraries that can be loaded with :meth:`LoadBBDepLib` / :meth:`LoadLib`. .. method:: LoadBBDepLib() - A backbone dependent rotamer library shipped with ProMod3. You can find + A backbone dependent rotamer library shipped with |project|. You can find details on how it is created in extras/data_generation/rotamer_library/README. All scripts to build it are in the same directory as the README file and build the basis for custom versions. @@ -41,7 +41,7 @@ that can be loaded with :meth:`LoadBBDepLib` / :meth:`LoadLib`. .. method:: LoadLib() - A backbone independent rotamer library shipped with ProMod3. You can find + A backbone independent rotamer library shipped with |project|. You can find details on how it is created in extras/data_generation/rotamer_library/README. All scripts to build it are in the same directory as the README file and build the basis for custom versions.