diff --git a/setup.py b/setup.py index 4110d46..12297b7 100644 --- a/setup.py +++ b/setup.py @@ -1,57 +1,61 @@ -from setuptools import setup, find_packages -import os - -requirements = [ - 'cobra', - 'numpy', - 'scipy', - 'networkx>=2.1', - 'python-libsbml', -] - -try: - with open('README.rst') as handle: - description = handle.read() -except: - description = '' -datadir = os.path.join('metquest','example','data') -datafiles = [(d, [os.path.join(d,f) for f in files]) - for d, folders, files in os.walk(datadir)] - -setup( - name='metquest', - version='0.1.31', - packages=find_packages(), - project_urls={ - 'Source': 'https://github.com/RamanLab/metquest' - }, - - install_requires=requirements, - setup_requires=[], - scripts=['bin/metquest.sh'], - author='Aarthi Ravikrishnan', - author_email='aarthiravikrishnan@gmail.com', - description='MetQuest: Enumerating all possible biosynthetic pathways in metabolic networks ', - long_description=description, - license='LGPL/GPL v2+', - keywords='metabolism biology graph-theory pathways', - classifiers=[ - 'Development Status :: 4 - Beta', - 'Intended Audience :: Science/Research', - 'License :: OSI Approved :: GNU Lesser General Public License v2' - ' or later (LGPLv2+)', - 'License :: OSI Approved :: GNU General Public License v2' - ' or later (GPLv2+)', - 'Operating System :: OS Independent', - 'Programming Language :: Python :: 3.4', - 'Programming Language :: Python :: 3.5', - 'Programming Language :: Python :: 3.6', - 'Topic :: Scientific/Engineering', - 'Topic :: Scientific/Engineering :: Bio-Informatics' - ], - platforms='GNU/Linux, Mac OS X >= 10.7, Microsoft Windows >= 7', - data_files = datafiles, - include_package_data = True - -) - +from setuptools import setup, find_packages +import os + +requirements = [ + 'cobra', + 'numpy', + 'scipy', + 'networkx>=2.1', + 'python-libsbml', + 'seaborn', + 'matplotlib', + 'pandas', + 'pyvis' +] + +try: + with open('README.rst') as handle: + description = handle.read() +except: + description = '' +datadir = os.path.join('metquest','example','data') +datafiles = [(d, [os.path.join(d,f) for f in files]) + for d, folders, files in os.walk(datadir)] + +setup( + name='metquest', + version='2.0.0', + packages=find_packages(), + project_urls={ + 'Source': 'https://github.com/dinesh-kumar-k-b/metquest2.0.git' + }, + + install_requires=requirements, + setup_requires=[], + scripts=['bin/metquest.sh'], + author='Aarthi Ravikrishnan and Dinesh Kumar Kuppa Baskaran', + author_email='dineshmine7@gmail.com, aarthiravikrishnan@gmail.com', + description='MetQuest: Enumerating all possible biosynthetic pathways in metabolic networks ', + long_description=description, + license='LGPL/GPL v2+', + keywords='metabolism biology graph-theory pathways', + classifiers=[ + 'Development Status :: 4 - Beta', + 'Intended Audience :: Science/Research', + 'License :: OSI Approved :: GNU Lesser General Public License v2' + ' or later (LGPLv2+)', + 'License :: OSI Approved :: GNU General Public License v2' + ' or later (GPLv2+)', + 'Operating System :: OS Independent', + 'Programming Language :: Python :: 3.4', + 'Programming Language :: Python :: 3.5', + 'Programming Language :: Python :: 3.6', + 'Topic :: Scientific/Engineering', + 'Topic :: Scientific/Engineering :: Bio-Informatics' + ], + platforms='GNU/Linux, Mac OS X >= 10.7, Microsoft Windows >= 7', + data_files = datafiles, + include_package_data = True + +) + diff --git a/template files/cofactors.txt b/template files/cofactors.txt new file mode 100644 index 0000000..8ea2d76 --- /dev/null +++ b/template files/cofactors.txt @@ -0,0 +1,69 @@ +h +adp +atp +gdp +gtp +cdp +ctp +tdp +ttp +udp +utp +pi +ppi +mlthf +ade +adn +fad +fmn +fadh2 +nad +nadh +nadp +nadph +dnad +ca2 +cl +cobalt2 +coa +cu2 +cytd +dcdp +dcmp +dctp +dcyt +csn +ctp +dad_2 +dadp +datp +dgdp +dgtp +dtdp +dttp +dudp +dutp +thymd +fe2 +fe3 +fol +gua +gsn +h2o +h2co3 +k +mg2 +mn2 +na1 +nh4 +no3 +no2 +thm +thym +ribflv +ahcys +amet +so4 +ura +uri +zn2 \ No newline at end of file diff --git a/template files/cofactors_modelseed.txt b/template files/cofactors_modelseed.txt new file mode 100644 index 0000000..699238c --- /dev/null +++ b/template files/cofactors_modelseed.txt @@ -0,0 +1,92 @@ +cpd00008 +cpd00018 +cpd00002 +cpd00052 +cpd00046 +cpd00096 +cpd00533 +cpd00206 +cpd00177 +cpd00115 +cpd00294 +cpd00356 +cpd00295 +cpd00296 +cpd00241 +cpd00358 +cpd00978 +cpd00299 +cpd00038 +cpd00031 +cpd00126 +cpd00090 +cpd00114 +cpd00068 +cpd00977 +cpd00976 +cpd03704 +cpd00297 +cpd00298 +cpd00357 +cpd00014 +cpd00091 +cpd00062 +cpd00125 +cpd00024 +cpd00022 +cpd11493 +cpd00128 +cpd00182 +cpd00104 +cpd00063 +cpd00099 +cpd00149 +cpd00010 +cpd02083 +cpd00058 +cpd00367 +cpd00307 +cpd00438 +cpd00654 +cpd00277 +cpd00412 +cpd00015 +cpd10515 +cpd10516 +cpd00982 +cpd00050 +cpd00393 +cpd00207 +cpd00311 +cpd00067 +cpd00001 +cpd00242 +cpd00028 +cpd00205 +cpd00254 +cpd00030 +cpd00971 +cpd00003 +cpd00004 +cpd00006 +cpd00005 +cpd19013 +cpd00218 +cpd00355 +cpd00209 +cpd00075 +cpd00009 +cpd00012 +cpd00215 +cpd00220 +cpd00019 +cpd00017 +cpd00048 +cpd00305 +cpd00184 +cpd00151 +cpd15561 +cpd15560 +cpd00092 +cpd00249 +cpd00034 \ No newline at end of file diff --git a/template files/seed_metabolite_file_template.txt b/template files/seed_metabolite_file_template.txt new file mode 100644 index 0000000..956f175 --- /dev/null +++ b/template files/seed_metabolite_file_template.txt @@ -0,0 +1,6 @@ +metabolite1 +metabolite2 +metabolite3 +metabolite4 +metabolite5 +metabolite6 \ No newline at end of file diff --git a/template files/template_for_cluster_file_homsi.csv b/template files/template_for_cluster_file_homsi.csv new file mode 100644 index 0000000..d831cbb --- /dev/null +++ b/template files/template_for_cluster_file_homsi.csv @@ -0,0 +1,6 @@ +Cluster,,, +1,microbe1,, +2,microbe2,microbe3, +3,microbe4,microbe5,microbe6 +4,microbe7,, +5,microbe8,microbe9,microbe10