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 |
hashlookup:children-total | 191 |
hashlookup:trust | 50 |
The searched file hash includes 191 children files known and seen by metalookup. A sample is included below:
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/c60.fchk.gz |
FileSize | 4448716 |
MD5 | 95E0D7B614965F11EA869B6F5FFFEECF |
SHA-1 | 03FD20EBA0B8634DB46A47A5A077DC837E550346 |
SHA-256 | 80A7A862491AEA3F70A10C9081FD1955330AE81E1D6D08BB12B81BE8AA44C4A9 |
SSDEEP | 98304:QM8rV5iyeIMjpjSQzCjVj6JWE2cBnvqlYoc:cJKITQzChOJWpcBnilxc |
TLSH | T165263327FE9D4F078DA4FDA394DD7B1D65A2C9327BA9D4A4012978DBF00766020DCA0B |
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 |
---|---|
FileName | ./usr/share/avogadro/i18n/libavogadro_gl.qm |
FileSize | 195316 |
MD5 | 0F35D29733F99889F54FEA8539CDAF53 |
RDS:package_id | 182052 |
SHA-1 | 07582D90592446869F2D9FAA9D05B034A5737EA3 |
SHA-256 | 52C20474784255AC2060DB2AD1BDEA9AE9C769C8D54D38179B242EFAD34DBCDD |
SSDEEP | 3072:X81GVF5ozic+y8c2ye5rs8aLveXwF4IG1OJBzb3xspGMHUWAX1FPl01pH1zU8eES:XpUN8kPGzm |
TLSH | T15E14DB5113FC168AF5F79F3C97B6028D9B7B78916435C21F4366E16A0830A48DE7AB23 |
insert-timestamp | 1679427281.7993119 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/libavogadro_sv.qm |
FileSize | 18620 |
MD5 | DE74B2E1796D103713B29ACE20A38F73 |
RDS:package_id | 182052 |
SHA-1 | 0888862ADD74213D9452042544164224271E883D |
SHA-256 | 11BEE37410FE7DB820E7C90604CE5EF2F1357B1F3E8AD22F80B3D824030C7778 |
SSDEEP | 192:PLJPXOHMZFlMIQSg3cS/DwzfqcLiylW46SwsQtt8/Zs0HccCMqQFYQbEnIGE:gMrlrQXDwzy46Swpt8R6AEIGE |
TLSH | T16582CD4253F824CEF5EB4A3C6B66408D772BBC9164B9D81FB335F1A91470648ABF6321 |
insert-timestamp | 1679427281.644148 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/f-only.g09.gz |
FileSize | 11173 |
MD5 | A1FDFDB3B366E5BC7467377BEF4A9DF5 |
RDS:package_id | 182052 |
SHA-1 | 0D917441CD99F0159F7630872C89083030B237EA |
SHA-256 | FDDE86E47FE3C83C64A862D7184581E9F6DE42D394E3CA464D9725DAF73D01BF |
SSDEEP | 192:ZuO8gFo1jUh1D+t74soVjeuQNEdYHc7+spxu8Gpj1013DF6VLJVp00bPPO4bxNL:cOZ1DSijh2EdY8KGLGX01zF6V7p9Pm0L |
TLSH | T17F32CFAC1D93F9FD20C4EC99A3A543B08454448EF2865CA4E5CF91AF473632859F5E4A |
insert-timestamp | 1679427281.458121 |
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 |