LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
pichemist/__init__.py
pichemist/api.py
pichemist/charges.py
pichemist/cli.py
pichemist/config.py
pichemist/core.py
pichemist/io.py
pichemist/isoelectric.py
pichemist/model.py
pichemist/molecule.py
pichemist/plot.py
pichemist/stats.py
pichemist/utils.py
pichemist.egg-info/PKG-INFO
pichemist.egg-info/SOURCES.txt
pichemist.egg-info/dependency_links.txt
pichemist.egg-info/entry_points.txt
pichemist.egg-info/requires.txt
pichemist.egg-info/top_level.txt
pichemist/data/fasta/convert_legacy_gauci_to_original_and_standardised.py
pichemist/data/fasta/convert_legacy_promost_into_standardised.py
pichemist/data/fasta/convert_legacy_short_set_to_original.py
pichemist/data/fasta/convert_original_short_set_to_standardised.py
pichemist/data/fasta/legacy_conversion.py
pichemist/data/fasta/legacy/aa_legend.tsv
pichemist/data/fasta/legacy/gauci.py
pichemist/data/fasta/legacy/promost.py
pichemist/data/fasta/legacy/short_pka_sets.py
pichemist/data/fasta/original_enriched/pka_set_gauci_original.json
pichemist/data/fasta/original_short/pka_set_bjellqvist_original.json
pichemist/data/fasta/original_short/pka_set_dawson_original.json
pichemist/data/fasta/original_short/pka_set_dtaselect_original.json
pichemist/data/fasta/original_short/pka_set_emboss_original.json
pichemist/data/fasta/original_short/pka_set_grimsley_original.json
pichemist/data/fasta/original_short/pka_set_ipc2_peptide_original.json
pichemist/data/fasta/original_short/pka_set_ipc_peptide_original.json
pichemist/data/fasta/original_short/pka_set_lehninger_original.json
pichemist/data/fasta/original_short/pka_set_nozaki_original.json
pichemist/data/fasta/original_short/pka_set_rodwell_original.json
pichemist/data/fasta/original_short/pka_set_sillero_original.json
pichemist/data/fasta/original_short/pka_set_solomon_original.json
pichemist/data/fasta/original_short/pka_set_thurlkill_original.json
pichemist/data/fasta/original_short/pka_set_toseland_original.json
pichemist/data/fasta/standardised/pka_set_bjellqvist_standardised.json
pichemist/data/fasta/standardised/pka_set_dawson_standardised.json
pichemist/data/fasta/standardised/pka_set_dtaselect_standardised.json
pichemist/data/fasta/standardised/pka_set_emboss_standardised.json
pichemist/data/fasta/standardised/pka_set_gauci_standardised.json
pichemist/data/fasta/standardised/pka_set_grimsley_standardised.json
pichemist/data/fasta/standardised/pka_set_ipc2_peptide_standardised.json
pichemist/data/fasta/standardised/pka_set_ipc_peptide_standardised.json
pichemist/data/fasta/standardised/pka_set_lehninger_standardised.json
pichemist/data/fasta/standardised/pka_set_nozaki_standardised.json
pichemist/data/fasta/standardised/pka_set_promost_standardised.json
pichemist/data/fasta/standardised/pka_set_rodwell_standardised.json
pichemist/data/fasta/standardised/pka_set_sillero_standardised.json
pichemist/data/fasta/standardised/pka_set_solomon_standardised.json
pichemist/data/fasta/standardised/pka_set_thurlkill_standardised.json
pichemist/data/fasta/standardised/pka_set_toseland_standardised.json
pichemist/data/smarts/convert_legacy_aa_smarts_to_standardised.py
pichemist/data/smarts/convert_legacy_ss_smarts_to_standardised.py
pichemist/data/smarts/legacy/smarts_naturalAAs.py
pichemist/data/smarts/legacy/smarts_notes.py
pichemist/data/smarts/legacy/smarts_pKaMatcher.dat
pichemist/data/smarts/legacy/smarts_pKaMatcher.py
pichemist/data/smarts/standardised/aa_smarts_set_standardised.json
pichemist/data/smarts/standardised/ss_smarts_set_standardised.json
pichemist/fasta/__init__.py
pichemist/fasta/helpers.py
pichemist/fasta/matcher.py
pichemist/fasta/pka_sets.py
pichemist/fasta/scrambler.py
pichemist/fasta/smarts.py
pichemist/pka/__init__.py
pichemist/pka/acd.py
pichemist/pka/pkamatcher.py
pichemist/pka/utils.py
pichemist/smarts/__init__.py
pichemist/smarts/pka_set.py
test/test_api.py
test/test_charges.py
test/test_cli.py
test/test_data.py
test/test_fasta.py
test/test_pkamatcher.py