Package - atomes-data

Package: atomes-data
apt-get install atomes-data

Documentations in package:

atomes-data

Primary informations

Download package: http://deb.debian.org/debian/pool/main/a/atomes/atomes-data_1.1.17-1_all.deb (Size: 1.1MiB)

Property	Value
Package	atomes-data
Source	atomes
Version	1.1.17-1
Installed-Size	7101
Maintainer	Debichem Team
Architecture	all
Suggests	atomes
Enhances	atomes
Description	atomic-scale 3D modeling toolbox (data)
Description-md5	2ebb3e54687ce5aa6882da8a25ecf111
Multi-Arch	foreign
Homepage	https://atomes.ipcms.fr/
Section	science
Priority	optional
Filename	pool/main/a/atomes/atomes-data_1.1.17-1_all.deb
Size	1145568
MD5sum	dd104ec37cdabdf06b2fc4d5ddef84ce
SHA256	59ea8fc44b53dd74dea1dc3c4682e9b45aa8853d862be7f6623247f18e1bdbf0

Files in package

/usr/share/atomes/library/force_fields/amber94.ffl
/usr/share/atomes/library/force_fields/amber96.ffl
/usr/share/atomes/library/force_fields/amber98.ffl
/usr/share/atomes/library/force_fields/amber99.ffl
/usr/share/atomes/library/force_fields/cff91.ffl
/usr/share/atomes/library/force_fields/charmm-carb_36.ffl
/usr/share/atomes/library/force_fields/charmm-cgenff_36.ffl
/usr/share/atomes/library/force_fields/charmm-ethers_35.ffl
/usr/share/atomes/library/force_fields/charmm-lipid_36.ffl
/usr/share/atomes/library/force_fields/charmm-na_36.ffl
/usr/share/atomes/library/force_fields/charmm-prot_22.ffl
/usr/share/atomes/library/force_fields/charmm-prot_36.ffl
/usr/share/atomes/library/force_fields/charmm-prot_metals_22.ffl
/usr/share/atomes/library/force_fields/charmm-prot_metals_36.ffl
/usr/share/atomes/library/force_fields/charmm-silicates.ffl
/usr/share/atomes/library/force_fields/compass.ffl
/usr/share/atomes/library/force_fields/cvff.ffl
/usr/share/atomes/library/force_fields/cvff_aug.ffl
/usr/share/atomes/library/force_fields/oplsaap.ffl
/usr/share/atomes/library/force_fields/oplsaar.ffl
/usr/share/atomes/library/force_fields/pcff.ffl
/usr/share/atomes/library/molecules/Alcohols/2-aminoethanol.sml
/usr/share/atomes/library/molecules/Alcohols/but-2-yne-1_4-diol.sml
/usr/share/atomes/library/molecules/Alcohols/cyclohexanol.sml
/usr/share/atomes/library/molecules/Alcohols/cyclopentanol.sml
/usr/share/atomes/library/molecules/Alcohols/ethane-1_2-diol.sml
/usr/share/atomes/library/molecules/Alcohols/ethanol.sml
/usr/share/atomes/library/molecules/Alcohols/methanol.sml
/usr/share/atomes/library/molecules/Alcohols/propan-1-ol.sml
/usr/share/atomes/library/molecules/Alcohols/propan-2-ol.sml
/usr/share/atomes/library/molecules/Alcohols/propane-1_2_3-triol.sml
/usr/share/atomes/library/molecules/Aldehydes/acetaldehyde.sml
/usr/share/atomes/library/molecules/Aldehydes/formaldehyde.sml
/usr/share/atomes/library/molecules/Alkanes/butane.sml
/usr/share/atomes/library/molecules/Alkanes/decane.sml
/usr/share/atomes/library/molecules/Alkanes/dodecane.sml
/usr/share/atomes/library/molecules/Alkanes/ethane.sml
/usr/share/atomes/library/molecules/Alkanes/heptane.sml
/usr/share/atomes/library/molecules/Alkanes/hexadecane.sml
/usr/share/atomes/library/molecules/Alkanes/hexane.sml
/usr/share/atomes/library/molecules/Alkanes/icosane.sml
/usr/share/atomes/library/molecules/Alkanes/methane.sml
/usr/share/atomes/library/molecules/Alkanes/methylpropane.sml
/usr/share/atomes/library/molecules/Alkanes/nonane.sml
/usr/share/atomes/library/molecules/Alkanes/octane.sml
/usr/share/atomes/library/molecules/Alkanes/pentadecane.sml
/usr/share/atomes/library/molecules/Alkanes/pentane.sml
/usr/share/atomes/library/molecules/Alkanes/propane.sml
/usr/share/atomes/library/molecules/Alkanes/tetracosane.sml
/usr/share/atomes/library/molecules/Alkanes/tetradecane.sml
/usr/share/atomes/library/molecules/Alkanes/tridecane.sml
/usr/share/atomes/library/molecules/Alkanes/undecane.sml
/usr/share/atomes/library/molecules/Alkenes/1-butene.sml
/usr/share/atomes/library/molecules/Alkenes/1-heptene.sml
/usr/share/atomes/library/molecules/Alkenes/1-hexene.sml
/usr/share/atomes/library/molecules/Alkenes/1-octene.sml
/usr/share/atomes/library/molecules/Alkenes/1-pentene.sml
/usr/share/atomes/library/molecules/Alkenes/2-methylbut-2-ene.sml
/usr/share/atomes/library/molecules/Alkenes/2-methylbuta-1_3-diene.sml
/usr/share/atomes/library/molecules/Alkenes/3z-3-ethylhepta-1_3-diene.sml
/usr/share/atomes/library/molecules/Alkenes/3z-penta-1_3-diene.sml
/usr/share/atomes/library/molecules/Alkenes/cis-2-butene.sml
/usr/share/atomes/library/molecules/Alkenes/e-2-heptene.sml
/usr/share/atomes/library/molecules/Alkenes/e-2-hexene.sml
/usr/share/atomes/library/molecules/Alkenes/e-2-octene.sml
/usr/share/atomes/library/molecules/Alkenes/e-2-pentene.sml
/usr/share/atomes/library/molecules/Alkenes/e-3-heptene.sml
/usr/share/atomes/library/molecules/Alkenes/e-3-hexene.sml
/usr/share/atomes/library/molecules/Alkenes/e-3-octene.sml
/usr/share/atomes/library/molecules/Alkenes/e-4-octene.sml
/usr/share/atomes/library/molecules/Alkenes/ethene.sml
/usr/share/atomes/library/molecules/Alkenes/piperylene.sml
/usr/share/atomes/library/molecules/Alkenes/propene.sml
/usr/share/atomes/library/molecules/Alkenes/trans-2-butene.sml
/usr/share/atomes/library/molecules/Alkenes/z-2-heptene.sml
/usr/share/atomes/library/molecules/Alkenes/z-2-hexene.sml
/usr/share/atomes/library/molecules/Alkenes/z-2-octene.sml
/usr/share/atomes/library/molecules/Alkenes/z-2-pentene.sml
/usr/share/atomes/library/molecules/Alkenes/z-3-heptene.sml
/usr/share/atomes/library/molecules/Alkenes/z-3-hexene.sml
/usr/share/atomes/library/molecules/Alkenes/z-3-octene.sml
/usr/share/atomes/library/molecules/Alkenes/z-4-octene.sml
/usr/share/atomes/library/molecules/Alkynes/ethyne.sml
/usr/share/atomes/library/molecules/Alkynes/propyne.sml
/usr/share/atomes/library/molecules/Amides/acetamide.sml
/usr/share/atomes/library/molecules/Amides/n_n-dimethylacetamide.sml
/usr/share/atomes/library/molecules/Amides/n_n-dimethylformamide.sml
/usr/share/atomes/library/molecules/Amides/oxamide.sml
/usr/share/atomes/library/molecules/Amides/urea.sml
/usr/share/atomes/library/molecules/Amides/urethane.sml
/usr/share/atomes/library/molecules/Amines/ammonia.sml
/usr/share/atomes/library/molecules/Amines/azepane.sml
/usr/share/atomes/library/molecules/Amines/azepine.sml
/usr/share/atomes/library/molecules/Amines/diethylamine.sml
/usr/share/atomes/library/molecules/Amines/dimethylamine.sml
/usr/share/atomes/library/molecules/Amines/ethylamine.sml
/usr/share/atomes/library/molecules/Amines/isopropylamine.sml
/usr/share/atomes/library/molecules/Amines/methylamine.sml
/usr/share/atomes/library/molecules/Amines/piperazine.sml
/usr/share/atomes/library/molecules/Amines/piperidine.sml
/usr/share/atomes/library/molecules/Amines/pyrrolidine.sml
/usr/share/atomes/library/molecules/Amines/r-sec-butylamine.sml
/usr/share/atomes/library/molecules/Amines/s-sec-butylamine.sml
/usr/share/atomes/library/molecules/Amines/tert-butylamine.sml
/usr/share/atomes/library/molecules/Amines/triethylamine.sml
/usr/share/atomes/library/molecules/Amines/triethylenediamine.sml
/usr/share/atomes/library/molecules/Amines/trimethylamine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-alanine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-allo-threonine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-arginine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-asparagine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-aspartic_acid.sml
/usr/share/atomes/library/molecules/Amino_acids/d-cysteine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-glutamic_acid.sml
/usr/share/atomes/library/molecules/Amino_acids/d-glutamine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-histidine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-isoleucine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-leucine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-lysine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-methionine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-phenylalanine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-proline.sml
/usr/share/atomes/library/molecules/Amino_acids/d-serine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-threonine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-tryptophan.sml
/usr/share/atomes/library/molecules/Amino_acids/d-tyrosine.sml
/usr/share/atomes/library/molecules/Amino_acids/d-valine.sml
/usr/share/atomes/library/molecules/Amino_acids/glycine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-4-nitrophenylalanine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-alanine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-allo-isoleucine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-arginine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-asparagine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-aspartic_acid.sml
/usr/share/atomes/library/molecules/Amino_acids/l-cysteine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-glutamic_acid.sml
/usr/share/atomes/library/molecules/Amino_acids/l-glutamine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-histidine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-isoleucine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-leucine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-lysine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-methionine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-phenylalanine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-proline.sml
/usr/share/atomes/library/molecules/Amino_acids/l-serine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-threonine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-tryptophan.sml
/usr/share/atomes/library/molecules/Amino_acids/l-tyrosine.sml
/usr/share/atomes/library/molecules/Amino_acids/l-valine.sml
/usr/share/atomes/library/molecules/Aromatics/1h-indole.sml
/usr/share/atomes/library/molecules/Aromatics/2h-chromene.sml
/usr/share/atomes/library/molecules/Aromatics/4h-chromene.sml
/usr/share/atomes/library/molecules/Aromatics/acenaphthene.sml
/usr/share/atomes/library/molecules/Aromatics/acenaphthenequinone.sml
/usr/share/atomes/library/molecules/Aromatics/acenaphthylene.sml
/usr/share/atomes/library/molecules/Aromatics/acridine.sml
/usr/share/atomes/library/molecules/Aromatics/aniline.sml
/usr/share/atomes/library/molecules/Aromatics/anisole.sml
/usr/share/atomes/library/molecules/Aromatics/anthracene.sml
/usr/share/atomes/library/molecules/Aromatics/benzaldehyde.sml
/usr/share/atomes/library/molecules/Aromatics/benzene.sml
/usr/share/atomes/library/molecules/Aromatics/benzofuran.sml
/usr/share/atomes/library/molecules/Aromatics/benzoic_acid.sml
/usr/share/atomes/library/molecules/Aromatics/benzothiophene.sml
/usr/share/atomes/library/molecules/Aromatics/benzoyl_chloride.sml
/usr/share/atomes/library/molecules/Aromatics/caffeine.sml
/usr/share/atomes/library/molecules/Aromatics/carbazole.sml
/usr/share/atomes/library/molecules/Aromatics/chromone.sml
/usr/share/atomes/library/molecules/Aromatics/cinnoline.sml
/usr/share/atomes/library/molecules/Aromatics/coumarin.sml
/usr/share/atomes/library/molecules/Aromatics/cyclopentadienyl.sml
/usr/share/atomes/library/molecules/Aromatics/fluorene.sml
/usr/share/atomes/library/molecules/Aromatics/indene.sml
/usr/share/atomes/library/molecules/Aromatics/isoquinoline.sml
/usr/share/atomes/library/molecules/Aromatics/naphthalene.sml
/usr/share/atomes/library/molecules/Aromatics/naphthyridine.sml
/usr/share/atomes/library/molecules/Aromatics/nitrobenzene.sml
/usr/share/atomes/library/molecules/Aromatics/phenanthrene.sml
/usr/share/atomes/library/molecules/Aromatics/phenanthroline.sml
/usr/share/atomes/library/molecules/Aromatics/phenol.sml
/usr/share/atomes/library/molecules/Aromatics/phthalimide.sml
/usr/share/atomes/library/molecules/Aromatics/purine.sml
/usr/share/atomes/library/molecules/Aromatics/quinazoline.sml
/usr/share/atomes/library/molecules/Aromatics/quinoline.sml
/usr/share/atomes/library/molecules/Aromatics/tetralin.sml
/usr/share/atomes/library/molecules/Aromatics/toluene.sml
/usr/share/atomes/library/molecules/Aromatics/uric_acid.sml
/usr/share/atomes/library/molecules/Aromatics/xanthene.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/acetic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/butanoic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/citric_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/d-lactic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/d-malic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/d-tartaric_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/dichloroacetic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/formic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/isobutyric_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/l-ascorbic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/l-lactic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/l-malic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/l-tartaric_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/maleic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/oxalic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/propanoic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/trichloroacetic_acid.sml
/usr/share/atomes/library/molecules/Carboxylic_acids/trifluoroacetic_acid.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/abietic_acid.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/adamantane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/camphene.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cis-decahydronaphthalene.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cubane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cyclobutane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cyclodecane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cycloheptane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cyclohexane-chair.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cyclohexane-twist-boat.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cyclononane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cyclooctane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cyclopentane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/cyclopropane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/norbornane.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/r-camphor.sml
/usr/share/atomes/library/molecules/Cyclic_alkanes/trans-decahydronaphthalene.sml
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/usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohepta-1_4-diene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohexa-1_3-diene.sml
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/usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohexene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/cycloocta-1_3-diene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/cycloocta-1_3_5-triene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/cycloocta-1_3_5_7-tetraene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/cycloocta-1_3_6-triene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/cyclopenta-1_3-diene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/cyclopentene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/e-cyclooctene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/z-cycloheptene.sml
/usr/share/atomes/library/molecules/Cyclic_alkenes/z-cyclooctene.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-allopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-arabinopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-fucopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-galactopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-galacturonopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-glucopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-glucuronopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-gulopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-idopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-lyxopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-mannopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-psicopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-rhamnopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-ribopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-tagatopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-talopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-xylopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-arabinopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-fucopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-galactopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-lyxopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-rhamnopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-ribopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-sorbopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-xylopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-allopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-arabinopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-fructopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-fucopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-galactopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-glucopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-gulopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-idopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-lyxopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-mannopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-rhamnopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-ribopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-tagatopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-talopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-xylopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-l-arabinopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-l-lyxopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-l-ribopyranose.sml
/usr/share/atomes/library/molecules/Cyclic_sugars/beta-l-xylopyranose.sml
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