LICENSE.txt
README.rst
setup.py
mdciao/__init__.py
mdciao/dihedrals.py
mdciao/parsers.py
mdciao.egg-info/PKG-INFO
mdciao.egg-info/SOURCES.txt
mdciao.egg-info/dependency_links.txt
mdciao.egg-info/requires.txt
mdciao.egg-info/top_level.txt
mdciao/cli/__init__.py
mdciao/cli/cli.py
mdciao/contacts/__init__.py
mdciao/contacts/_md_compute_contacts.py
mdciao/contacts/contacts.py
mdciao/examples/Comparing_CGs_Bars.ipynb
mdciao/examples/Comparing_CGs_Flares.ipynb
mdciao/examples/EGFR_Kinase_Inhibitors.ipynb
mdciao/examples/Flareplot_Schemes.ipynb
mdciao/examples/Manuscript.ipynb
mdciao/examples/Missing_Contacts.ipynb
mdciao/examples/Tutorial.ipynb
mdciao/examples/__init__.py
mdciao/examples/examples.py
mdciao/filenames/__init__.py
mdciao/filenames/filenames.py
mdciao/flare/__init__.py
mdciao/flare/_textutils.py
mdciao/flare/_utils.py
mdciao/flare/flare.py
mdciao/fragments/__init__.py
mdciao/fragments/fragments.py
mdciao/nomenclature/__init__.py
mdciao/nomenclature/_md_from_dataframe.py
mdciao/nomenclature/nomenclature.py
mdciao/nomenclature/nomenclature_BACKUP_374783.py
mdciao/nomenclature/nomenclature_BASE_374783.py
mdciao/nomenclature/nomenclature_LOCAL_374783.py
mdciao/nomenclature/nomenclature_REMOTE_374783.py
mdciao/pdb/__init__.py
mdciao/pdb/pdb.py
mdciao/plots/__init__.py
mdciao/plots/plots.py
mdciao/sites/__init__.py
mdciao/sites/siteIO.py
mdciao/utils/COM.py
mdciao/utils/__init__.py
mdciao/utils/bonds.py
mdciao/utils/contact_matrix.py
mdciao/utils/lists.py
mdciao/utils/residue_and_atom.py
mdciao/utils/sequence.py
mdciao/utils/str_and_dict.py
scripts/mdc_CGN_overview.py
scripts/mdc_GPCR_overview.py
scripts/mdc_KLIFS_overview.py
scripts/mdc_compare.py
scripts/mdc_examples.py
scripts/mdc_fragments.py
scripts/mdc_interface.py
scripts/mdc_neighborhoods.py
scripts/mdc_notebooks.py
scripts/mdc_pdb.py
scripts/mdc_residues.py
scripts/mdc_sites.py
tests/data/RCSB_pdb/3SN6.pdb.gz
tests/data/examples/gs-b2ar.noH.pdb
tests/data/examples/gs-b2ar.noH.stride.5.xtc
tests/data/json/tip.json
tests/data/nomenclature/CGN_3SN6.txt
tests/data/nomenclature/KLIFS_P31751.xlsx
tests/data/nomenclature/adrb2_human.xlsx
tests/data/nomenclature/nomenclature.bib