Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/c60.fchk.gz |
FileSize | 4448716 |
MD5 | 95E0D7B614965F11EA869B6F5FFFEECF |
SHA-1 | 03FD20EBA0B8634DB46A47A5A077DC837E550346 |
SHA-256 | 80A7A862491AEA3F70A10C9081FD1955330AE81E1D6D08BB12B81BE8AA44C4A9 |
SSDEEP | 98304:QM8rV5iyeIMjpjSQzCjVj6JWE2cBnvqlYoc:cJKITQzChOJWpcBnilxc |
TLSH | T165263327FE9D4F078DA4FDA394DD7B1D65A2C9327BA9D4A4012978DBF00766020DCA0B |
hashlookup:parent-total | 1 |
hashlookup:trust | 55 |
The searched file hash is included in 1 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 11120396 |
MD5 | EEE0F880AB84385B0C74F20A00F1B83D |
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 | E9312BB126DB51B5BD64CE8EB137DAD0237F8298 |
SHA-256 | AC80DAF5CE9FAD95637E7F269844B49053C7553B0E75F00071E0E368B6551ACF |