معرفی شرکت ها

تبلیغات ما

مشتریان به طور فزاینده ای آنلاین هستند. تبلیغات می تواند به آنها کمک کند تا کسب و کار شما را پیدا کنند.

مشاهده بیشتر

تبلیغات ما

مشتریان به طور فزاینده ای آنلاین هستند. تبلیغات می تواند به آنها کمک کند تا کسب و کار شما را پیدا کنند.

مشاهده بیشتر

تبلیغات ما

مشتریان به طور فزاینده ای آنلاین هستند. تبلیغات می تواند به آنها کمک کند تا کسب و کار شما را پیدا کنند.

مشاهده بیشتر

تبلیغات ما

مشتریان به طور فزاینده ای آنلاین هستند. تبلیغات می تواند به آنها کمک کند تا کسب و کار شما را پیدا کنند.

مشاهده بیشتر

تبلیغات ما

مشتریان به طور فزاینده ای آنلاین هستند. تبلیغات می تواند به آنها کمک کند تا کسب و کار شما را پیدا کنند.

مشاهده بیشتر

توضیحات

ویژگی	مقدار
سیستم عامل	-
نام فایل	BioMetAll-1.0
نام	BioMetAll
نسخه کتابخانه	1.0
نگهدارنده	[]
ایمیل نگهدارنده	[]
نویسنده	Insilichem
ایمیل نویسنده	joseemilio.sanchez@uab.cat
آدرس صفحه اصلی	-
آدرس اینترنتی	https://pypi.org/project/BioMetAll/
مجوز	BSD-3-Clause

.. BioMetAll: Identifying metal-binding sites in proteins from backbone preorganization https://github.com/insilichem/biometall Copyright 2020 José-Emilio Sánchez-Aparicio, Laura Tiessler-Sala, Lorea Velasco-Carneros, Lorena Roldán-Martín, Giuseppe Sciortino, Jean-Didier Maréchal BioMetAll ========= .. image:: https://readthedocs.org/projects/biometall/badge/?version=latest :target: https://biometall.readthedocs.io/en/latest/ .. image:: https://img.shields.io/pypi/v/biometall :target: https://pypi.org/project/biometall/ .. image:: https://img.shields.io/badge/python-3.7-green :target: https://www.python.org/downloads/release/python-377/ .. image:: https://img.shields.io/pypi/l/biometall :target: https://opensource.org/licenses/BSD-3-Clause .. image:: https://img.shields.io/badge/doi-https%3A%2F%2Fdoi.org%2F10.1021%2Facs.jcim.0c00827-blue :target: https://doi.org/10.1021/acs.jcim.0c00827 BioMetAll is a command line application to allow the identification of metal-binding sites in proteins from backbone preorganization. .. image:: docs/images/logo_biometall.png :alt: BioMetAll logo Features -------- **Different options to customize the search:** - sites with a minimum of coordinating amino acids - sites with a custom combination of coordinating amino acids - taking into account coordinations with backbone oxygen atoms (or only with the side chains) - scanning the whole protein or only a region of interest **Search for a structural motif and propose mutations:** - scan the structure to search a specific motif (e.g. HIS,HIS,ASP/GLU) - propose mutations to complete the motif (e.g. having a HIS,HIS motif, search for mutations to complete with either a GLU or an ASP) **Possible applications** - screening of a pool of .pdb structures - identification of conformational changes that alter the formation of metal-binding sites - metalloenzyme design A more complete overview of the capabilities of the program, illustrated with several case studies, is available in our `ChemRxiv preprint <https://doi.org/10.26434/chemrxiv.12668651.v1>`_. Documentation and support ------------------------- Documentation is available at `this link <https://biometall.readthedocs.io/en/latest/>`_. Installation instructions are available at `this webpage <https://biometall.readthedocs.io/en/latest/installation.html>`_. If you need help with BioMetAll, please use the `issues page <https://github.com/insilichem/biometall/issues>`_ of this GitHub repository. You can drop me a message at `joseemilio.sanchez@uab.cat <mailto:joseemilio.sanchez@uab.cat>`_ too. License ------- BioMetAll is an open-source software licensed under the BSD-3 Clause License. Check the details in the `LICENSE <https://github.com/insilichem/biometall/blob/master/LICENSE>`_ file. History of versions ------------------- - **v1.0:** Release version used in the preparation of the JCIM article. - **v0.2:** New *backbone_clashes* and *sidechain_clashes* parameters, which allow to customize the filtering of probes with clashes. - **v0.1:** Release version used in the preparation of the ChemRxiv preprint. OS Compatibility ---------------- BioMetAll is compatible with Linux, macOS and Windows. If you find some dificulties when installing it in a concrete distribution, please use the `issues page <https://github.com/insilichem/biometall/issues>`_ to report them. How to cite this software ------------------------- Sánchez-Aparicio, J.-E.; Tiessler-Sala, L.; Velasco-Carneros, L.; Roldán-Martín, L.; Sciortino, G.; Maréchal, J.-D.. Biometall: Identifying Metal-binding Sites in Proteins from Backbone Preorganization, *J. Chem. Inf. Model.*, **2020**, https://dx.doi.org/10.1021/acs.jcim.0c00827. Acknowledgements ---------------- Project template based on the `Computational Molecular Science Python Cookiecutter <https://github.com/molssi/cookiecutter-cms>`_ version 1.2. Standalone executables have been created with `PyInstaller <https://www.pyinstaller.org/>`_

نیازمندی

مقدار	نام
-	numpy
-	psutil

زبان مورد نیاز

مقدار	نام
>=3.5	Python

نحوه نصب

نصب پکیج whl BioMetAll-1.0:

pip install BioMetAll-1.0.whl

نصب پکیج tar.gz BioMetAll-1.0:

pip install BioMetAll-1.0.tar.gz