Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/VASP-DOS/POTCAR.gz |
FileSize | 63148 |
MD5 | 281F9F48437593E8A8ADD968689BD3D2 |
RDS:package_id | 182052 |
SHA-1 | 0ED1F9552855F4D2A6A78F0FF2845790E5B7DFE7 |
SHA-256 | 0E518B2DC604C1ED11D0B5A78C26509365CB2DFC0D41709B3FA3815700B829C6 |
SSDEEP | 1536:z7gN7tmZUJmJwGlIOeA3UEy6uRalIrNKo5CcriN9:XgNIZWLOnGoIrnU |
TLSH | T14D53026A2E5A61C935DB2354B34E988CA4F4BC16F3C4DE947FE4449EFD12032E5F901A |
insert-timestamp | 1679427281.5116856 |
source | RDS.db |
hashlookup:parent-total | 77 |
hashlookup:trust | 100 |
The searched file hash is included in 77 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 11124668 |
MD5 | 14F74169FD1E2FA0DD81192961A06C5B |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.2.0-1+deb9u1 |
SHA-1 | 031FFF3FA699019FD5FF0C57803EC61AB7A804C9 |
SHA-256 | 08A381389F0F885C625FACBDC7622F5133273F6884070F5C2DB1427C69EE385B |
Key | Value |
---|---|
FileSize | 11111968 |
MD5 | 0EF0FB87EC057404C1CF500ADD9871CE |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.2.0-4build1 |
SHA-1 | 057081BF36F26CFBB296DCB82F25FA29E7058C81 |
SHA-256 | 932F809CB58E272258086ED73B50E80E21FE874DF782D070E8A64B3583E9C816 |
Key | Value |
---|---|
FileSize | 11084186 |
MD5 | 139C62B9B74AA816B7C35EA5A015C807 |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.2.0-1build1 |
SHA-1 | 06F485825C82F767BA334742B96C591001E5A23B |
SHA-256 | 86936A1E029CA1C2728DFBD26C76E21808D6CD75F03B7B7957261EA09E8D7B11 |
Key | Value |
---|---|
FileSize | 7904126 |
MD5 | 74D1B5FF098EF454C7F6965781B55F29 |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.1.1-0ubuntu2 |
SHA-1 | 08D3DA07F02050E3BD3394CC420E5EA3F4687BF7 |
SHA-256 | D026B1DEB4B49C1A4BE941C55C6808D89D674E11BFD39F0674C6FD426D5937B2 |
Key | Value |
---|---|
FileSize | 11102902 |
MD5 | 9EC677B42B146FAA181BC58D26A36026 |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.2.0-2+b1 |
SHA-1 | 0C89AF68114385210F2005CE66ADB45BE166FC24 |
SHA-256 | 5F047D4C6F5D7BECF364B30AF428B18F0C12CABE0BF1947FF3A30AE0B37DB74B |
Key | Value |
---|---|
FileSize | 11117474 |
MD5 | 8BDCF933B17235F39AF45507C659BF2D |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.2.0-2 |
SHA-1 | 0D897BFEC22A378447796C38BD8C51414D0787BE |
SHA-256 | 4559EDCCA5F11A562259C5571CC5A281FEBF9880C77F32C319B17BB38EC81F25 |
Key | Value |
---|---|
FileSize | 11082692 |
MD5 | 2BA8801F6A245B0CE9F8E02481245F07 |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.2.0-4build1 |
SHA-1 | 0FADD2AB6D4BE71D7C6CFE1216F371B4E6E71013 |
SHA-256 | A0574EC3943C14CDC67027BB6339D3C8C8C8F9C682F123E60CBB9DC4EDC49747 |
Key | Value |
---|---|
FileSize | 7883896 |
MD5 | 89FA96F070F1F077FC18F49FF6DDC91A |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.1.1-0ubuntu5 |
SHA-1 | 0FF38A9FEA521B8298E7B1E49BDE386DD1CFE833 |
SHA-256 | 681377AF6E1D2565826E63E673386FFDA7DE86234DBCFCD272E4E7B695DAA394 |
Key | Value |
---|---|
FileSize | 7892688 |
MD5 | C612D28ABCE34F610E757E2F588355A1 |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.1.1-0ubuntu3 |
SHA-1 | 1297554E55D4916C5FA964EBF360011D74C2DC25 |
SHA-256 | C70B3235FCC6EA5D4FA707D3E19193A50FE7EF5E465730FCB90087C08C06C947 |
Key | Value |
---|---|
FileSize | 7912314 |
MD5 | 9113646CE44F94627D5209452AD425B1 |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.1.1-0ubuntu5 |
SHA-1 | 17A3210BED256D67B3BC91A201DC1FAFB38039FD |
SHA-256 | FF4C95C16BB7EBA45FEF379E6FCE02C6F3FADB840527144CD89B7248E5757FC6 |