Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/CO-cc-6Z.fchk.gz |
FileSize | 249418 |
MD5 | 46567F72E263F18BF978119CA98FAEC8 |
SHA-1 | 0E94DAE01595F7FAADD2C991A1ABC994E77121D1 |
SHA-256 | 579A99C066FEA5857CE61A941D5C03710C782F44F877DF20946DECB39F46BB1D |
SSDEEP | 6144:eHeEgiXwTUic3A8q8EneFTvWcp0hyFZ7Qj5UlNbdE:wgiXwTu3AcRV1v2julNb2 |
TLSH | T1763423E9F16DAC2BCA737C90ADF24E53069D18C45F2EBC50E22C4C75F89B7989584887 |
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 | 11100424 |
MD5 | 20247CC79922720EACF79B9B75BAABED |
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 | 1.2.0-4+b2 |
SHA-1 | 6F7EEDF800043E035D72E7BA1B4D47D66C69E597 |
SHA-256 | 9B73FD1E284E6BD2A8C86D79FCCD5C3C5DB573A5F1FB33D82F8A71BB75D35EC7 |