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 |
hashlookup:children-total | 172 |
hashlookup:trust | 50 |
The searched file hash includes 172 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
CRC32 | 0D542026 |
FileName | ./usr/share/avogadro/i18n/avogadro_sq.qm |
FileSize | 12522 |
MD5 | 56048F2F3EF0FD35E9134E28377953C0 |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 0164129F6682F4445BD570513CF954465D1E27A7 |
SHA-256 | 2477BFBC9F44825CA8D13D8CE16A6B773DBB28BFF8C63B3FDA440DF2165352A2 |
SSDEEP | 192:+Wxkk/snc4nrIkqkR4JItgUhfr+7PdBFBxDeUYz:Tx56kkqkR4shfrgrFBxUz |
SpecialCode | |
TLSH | T1B342878221F4AAEEF6F7193C4AAB434DF31770363630921F9255F2245C54085BEB77AA |
db | nsrl_modern_rds |
insert-timestamp | 1646978373.8488364 |
source | NSRL |
Key | Value |
---|---|
FileName | ./usr/share/doc/python-avogadro/copyright |
FileSize | 8218 |
MD5 | 8E06DF6FD0311199EF2E7D1157227E7F |
RDS:package_id | 182052 |
SHA-1 | 020D5B5B0A5E91C31C1EBDCB415F143D2DEC0BD7 |
SHA-256 | A903C5BB69E99C29F6D0849983CC3225F1196F03CC30227927CC8EA91FC6A1F7 |
SSDEEP | 192:lH9IjCz5z8oYWzQjYrsgrs+rTV37cwrrsRrsUMT3zTaBjU:bIjCzF8oYCQsrsgrso979rsRrsUMrHL |
TLSH | T12402E80B121C4FFBE89AC183FE8699CCE39B9658751F680234FDE24C531B71E22B05A4 |
insert-timestamp | 1679427281.6054657 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/methane.out.gz |
FileSize | 5584 |
MD5 | 8080A50C4C0A95DEB38B4563D9BE82ED |
RDS:package_id | 182052 |
SHA-1 | 04609728BAC62CF04F5E35502C0DD3ADDD0B9C49 |
SHA-256 | 5483103F6E128476FFCB09D29C4F39422E2CF1F5532430B52DD7EC7ED61A4E7D |
SSDEEP | 96:KFOz1bfMNC9EXOY6m9hqkfbtrW2F3XhQT0zOLQt8oiCj9vOwbEa7Lv:yY1bOCLYJPhrW2FHhW0zidCBvOwoGL |
TLSH | T1E1B15FB64B56453DA28F58BF43F376B69647752F983B2020404B0F8F2BB58186CDEE06 |
insert-timestamp | 1679427281.2504258 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/methane.FChk.gz |
FileSize | 4616 |
MD5 | D214E44EC06F5A92C524A8C9F1BBBD4D |
RDS:package_id | 182052 |
SHA-1 | 06057AC2BC3F906077825AAEC2DC050FCE777080 |
SHA-256 | E31970AC1E16B2E0C45ABF758B65A2DB5C83EC9C28FB5FEE8344F4528E933970 |
SSDEEP | 96:0uK4Z9Eu/2eiJqWsQU3O2TqL6X7NSCfP+CV8uPN:u4Z9t2dpUBeL6JTP+Wl |
TLSH | T1A8916C90DA756830870B73806298774F6E83110EC16856F489F0642A7E35C7F76EB87F |
insert-timestamp | 1679427281.240543 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/methanol.nwo.gz |
FileSize | 25499 |
MD5 | 7053757DA61A61811C9DB2CC8F77D07C |
RDS:package_id | 182052 |
SHA-1 | 06583D39E07179B25BF2444C9F8E7D18F4C8392D |
SHA-256 | AF9A2D14D1DF3E4E67860C246527A96935B5583E0D3F4A7D672AB1AC5EA610C9 |
SSDEEP | 768:ABM020o8VEJLditdmtSrvisE7ymGq1UTghGc:2M0dxVEWtUQbzq1kghD |
TLSH | T127B2D11171E99F037CF514AC1A2DA8967254BFC81E13F6210B358171BFDF46162A8C6A |
insert-timestamp | 1679427281.1238441 |
source | RDS.db |
Key | Value |
---|---|
CRC32 | 23242281 |
FileName | ./usr/share/doc/avogadro/examples/basic5.drawlog |
FileSize | 2387 |
MD5 | 2C0A053C5E6407421E6D61A6B0F2EF51 |
OpSystemCode | 362 |
ProductCode | 15084 |
RDS:package_id | 182052 |
SHA-1 | 0E68E0EB38D729F7BF59BEAD767C09FAE360CD1C |
SHA-256 | BD746D3081C6DD885E2255BEC29BEB88E00F300CC92318A7986EDBD8EF615490 |
SSDEEP | 24:IPwPHWMVZ3fhXbJsFeysFeBsFekjlsFeRTsFet4yA4e4+P454T1dLqTfXQUfiIfn:I4fWMXpJovejln32nPGI1Zqg1fu |
SpecialCode | |
TLSH | T180412B4E85F85843C749A4F38862ECC5438063409BDA722B7B7C67A079B48B49FBDED5 |
db | nsrl_modern_rds |
insert-timestamp | 1679427281.5836737 |
source | RDS.db |
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 |
Key | Value |
---|---|
CRC32 | 384350CD |
FileName | ./usr/share/avogadro/i18n/avogadro_ca@valencia.qm |
FileSize | 23813 |
MD5 | 4B7669BE9E5C90BA0D4269B854170F79 |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 10353B81FA67AD361BC3F646664F34E8A895CFBE |
SHA-256 | 7EF238C23067B88ED3F68BAFE37F1B0F4CC1AED12D0F3F6F125B158216FEB719 |
SSDEEP | 384:JxZN83fOjCwAZ7lzFqsEml6ojx9HEutjuPQNKkUqnsHd9dxEQG:JxQfOjhs7l5qsEml62x9HEuqPQNKVqn5 |
SpecialCode | |
TLSH | T122B2044132F49AA9F6F70E7C6A77064DAB3B74662A34D10F4221E1281C64944BE73B7B |
db | nsrl_modern_rds |
insert-timestamp | 1646983779.1871648 |
source | NSRL |
Key | Value |
---|---|
CRC32 | A5FD5CDF |
FileName | ./usr/share/avogadro/i18n/libavogadro_vi.qm |
FileSize | 162119 |
MD5 | 3E7F845C1F19AD0CFC8EC5B703039F1C |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 113F966C3DA5ABF8F9B4647EEF16F5AE06FE685E |
SHA-256 | 3B7B220DB283D23AFB7ECF874835C2982E7A5E3703457BD4848227A2B1189830 |
SSDEEP | 3072:zJS/3USVTnaA+bAPEJAXrP0pNC8VzmYKdl2K2kOjmCw:zYktS |
SpecialCode | |
TLSH | T1D5F36265D2FF64CEF5F6463C5743024D6B76A8D190B2D71BA36BF1290104848AFAEB32 |
db | nsrl_modern_rds |
insert-timestamp | 1646984234.0882916 |
source | NSRL |
Key | Value |
---|---|
CRC32 | 2C333FDD |
FileName | ./usr/share/doc/avogadro/examples/methane.mp |
FileSize | 502 |
MD5 | C53F524C65C341A9DD8F41EA8389CE21 |
OpSystemCode | 362 |
ProductCode | 15084 |
RDS:package_id | 182052 |
SHA-1 | 11D402B54F5D80282967469150CF5ABC28416356 |
SHA-256 | 4CEB7A570D40ADA29C4F6C091B80AE564FCCB7DAF6946C1FFB928338D94A1017 |
SSDEEP | 12:NtXrekZtY8B+4vaHe03u2uF8cHEXU+4PIl:NFrbtX3EzyPIl |
SpecialCode | |
TLSH | T10DF0A08B23885104E9A9B8258CEA1D821837E96B41F53D3430EC86C5933F04D4FF2551 |
db | nsrl_modern_rds |
insert-timestamp | 1679427281.4706206 |
source | RDS.db |