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| Name: atomes | Distribution: Fedora Project |
| Version: 1.1.15 | Vendor: Fedora Project |
| Release: 2.fc41 | Build date: Mon Oct 7 14:16:10 2024 |
| Group: Unspecified | Build host: buildvm-x86-14.iad2.fedoraproject.org |
| Size: 9653589 | Source RPM: atomes-1.1.15-2.fc41.src.rpm |
| Packager: Fedora Project | |
| Url: https://atomes.ipcms.fr/ | |
| Summary: An atomistic toolbox | |
Atomes: a toolbox to analyze, to visualize
and to create/edit three-dimensional atomistic models.
It offers a workspace that allows to have many projects opened simultaneously.
The different projects in the workspace can exchange data:
analysis results, atomic coordinates...
Atomes also provides an advanced input preparation system
for further calculations using well known molecular dynamics codes:
Classical MD: DLPOLY and LAMMPS
ab-initio MD: CPMD and CP2K
QM-MM MD: CPMD and CP2K
To prepare the input files for these calculations is likely to be the key,
and most complicated step towards MD simulations.
Atomes offers a user-friendly assistant to help and guide the scientist
step by step to achieve this crucial step.
AGPL-3.0-or-later
* Fri Oct 04 2024 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.15-2 - Package spec file update * Fri Oct 04 2024 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.15-1 - Bug corrections and improvements (see: https://github.com/Slookeur/Atomes-GNU/releases/tag/v1.1.15) * Mon Sep 23 2024 Fabio Valentini <decathorpe@gmail.com> - 1.1.14-4 - Rebuild for ffmpeg 7 * Wed Jul 17 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.14-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Wed Mar 20 2024 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.14-2 - Bug corrections and improvements (see: https://github.com/Slookeur/Atomes-GNU/releases/tag/v1.1.14) * Wed Mar 20 2024 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.14-1 - Bug corrections and improvements (see: https://github.com/Slookeur/Atomes-GNU/releases/tag/v1.1.14) * Wed Feb 28 2024 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.13-1 - Bug corrections and improvements (see: https://github.com/Slookeur/Atomes-GNU/releases/tag/v1.1.13) * Mon Sep 18 2023 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.12-2 - Package metadata update * Mon Sep 11 2023 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.12-1 - Several bug corrections and improvements (see: https://github.com/Slookeur/Atomes-GNU/releases/tag/v1.1.12) * Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.11-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Fri Apr 14 2023 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr> - 1.1.11-8 - Initial Fedora commit
/usr/bin/atomes /usr/lib/.build-id /usr/lib/.build-id/2c /usr/lib/.build-id/2c/a5612c769ba9da8741bbf79e20d3528f38fa6b /usr/lib/.build-id/ef /usr/lib/.build-id/ef/58189d9141c9171448aa0396d08fad657bff1b /usr/libexec/atomes_startup_testing /usr/share/applications/atomes.desktop /usr/share/atomes /usr/share/atomes/library /usr/share/atomes/library/force_fields /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 /usr/share/atomes/library/molecules/Alcohols /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 /usr/share/atomes/library/molecules/Aldehydes/acetaldehyde.sml /usr/share/atomes/library/molecules/Aldehydes/formaldehyde.sml /usr/share/atomes/library/molecules/Alkanes /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 /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 /usr/share/atomes/library/molecules/Alkynes/ethyne.sml /usr/share/atomes/library/molecules/Alkynes/propyne.sml /usr/share/atomes/library/molecules/Amides /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 /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 /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 /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 /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 /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 /usr/share/atomes/library/molecules/Cyclic_alkenes /usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohepta-1_3-diene.sml /usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohepta-1_3_5-triene.sml /usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohepta-1_4-diene.sml /usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohexa-1_3-diene.sml /usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohexa-1_4-diene.sml /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 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Fabrice Bellet, Sun Oct 27 02:54:38 2024