Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/c60.fchk.gz |
FileSize | 4448716 |
MD5 | 867CD0ECDF7D8F6E1B464271FF95CEF4 |
SHA-1 | 047D89275FA62EED9BCA724145FB22B6E472F45B |
SHA-256 | E619982D4A6BC93132C6A3CDEFF7573CC9CAB2BAE553288BE251F1BCB36B137D |
SSDEEP | 98304:1M8rV5iyeIMjpjSQzCjVj6JWE2cBnvqlYoc:9JKITQzChOJWpcBnilxc |
TLSH | T1C7263327FE9D4F078DA4FDA394DD7B1D65B2C9327BA9D4A4012978DBB00766020DCA0B |
hashlookup:parent-total | 10 |
hashlookup:trust | 100 |
The searched file hash is included in 10 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 11100154 |
MD5 | A5D35BFCEE259D8F5A0D094FFCCB7F6D |
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 | 3C5C371DB62BAEAF7B99469BE8A39B4C769FCF36 |
SHA-256 | EB341C515D343FD1DA13321FBA6DFEA82E0262153BA585BBD2FF0C8E39E64AE7 |
Key | Value |
---|---|
FileSize | 11136022 |
MD5 | A73743AEC0D1E6F9E254428566034E99 |
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 | 8E65947B2A0A9BD95CFA75088081643D39782BC5 |
SHA-256 | 400F71A37B5E1112DE321F8D9F863F9639BCE85E2997A53A672E1DB66D10959E |
Key | Value |
---|---|
FileSize | 11103220 |
MD5 | C15D50872B40619F889BFD796FE687D1 |
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 | 61142A2A0DB7FCA8D081A402FECC96CEBCFA5DE2 |
SHA-256 | 13C0680189B8486F1E6A76E659DF19392B141E8FF60AC8BF4F8B6A9F72F5FE46 |
Key | Value |
---|---|
FileSize | 11108732 |
MD5 | 2FECA994E4A61C9ADF6CF452678D7E66 |
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 | E97B105F1CC52D7EBDF013CF54CD826D8FFDC24C |
SHA-256 | 99291F9487E5A7723CA697AF7E423AEB06C923A60D709C40602B89806AB40AC2 |
Key | Value |
---|---|
FileSize | 11097494 |
MD5 | 98A09A9E7F3BF73C1DFC6D7AC2BD5A47 |
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 | D7755614880375155C984F95C821618B3716E7C1 |
SHA-256 | 487437B2171F22CD2324F85A3C6A3B5144DA4C77BD8902EA2241A588F5C6B1F1 |
Key | Value |
---|---|
FileSize | 11089794 |
MD5 | 23E8E352A6C6A6861D3E350CFFC3B49E |
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 | CFB5031FEFF8DC3F55D667D5C9EE1BD3D25FF563 |
SHA-256 | 55BC91215F4820344E583C8EAA7867A87DD20E33AA811C14FB2ACFEA76A5E81B |
Key | Value |
---|---|
FileSize | 11102514 |
MD5 | FDE0CFFF397534C8EE383992D52CB93A |
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 | 7FAD09CE0B5082CEA92A45AFF0665B54BD2A37AE |
SHA-256 | 2D9034ED3B9D28B9CF11CACAFAC30D4F0CFDC868809BC8ADA2847D8FA91E637C |
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 | 11088014 |
MD5 | F97E08B07D8900F6A8D6804A5769968B |
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 | 58E88A9D45112108638AB785AC0F25A322BFD098 |
SHA-256 | F130BA8BAD1C406AFD4A9815AA0DB711A98484B38C142D48581AE7918E3B63D2 |
Key | Value |
---|---|
FileSize | 11103794 |
MD5 | 93E7F814596D4BC8F1C1D3C83B532FD4 |
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 | 4E9A69D79E03661128271568BB9BE6C8AD3C0360 |
SHA-256 | F1E75DA6741779DC830C52E3855EBA0A6AA503E0096C29518EB74F96F9D69710 |