Key | Value |
---|---|
FileSize | 11127324 |
MD5 | 52145BB4CE0707173BE97F7C6907A104 |
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+b1 |
SHA-1 | FC0A5DF13A708EA6AE82227010177F28A7A22549 |
SHA-256 | EC641C499BB827AA9D6BB3EA68D74FBF841BBF964F244393D55A9A110ACF93FF |
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/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 |
Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/benzene-homo.cube.gz |
FileSize | 549439 |
MD5 | F1926A8AA93D49F33653D353D17E7B74 |
SHA-1 | 0EF65F0225EE24D5DE46E73A7CB35404BEB69CB6 |
SHA-256 | 1E85987EDEF2EB2E0E2B90D68C4AA2C111CD3C8A1C368256207201785E86DB71 |
SSDEEP | 12288:TrSvPmj00CIYX20c4YBrgjsp0KyVOLVGuKbCEbW2xXFkAF7UA:TrSvPq0xIYg4YBr/7yEXKWnGXfFH |
TLSH | T1DFC423A5C88F0922D77771ADC6934896CE2B5C515FF9890786C03C0A63CEAAE36787D4 |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/libavogadro_sk.qm |
FileSize | 82772 |
MD5 | 873DD483B96DA801E642186C1B9D3520 |
RDS:package_id | 182052 |
SHA-1 | 0FC2B1BA23BBE8307151575A338786191842A257 |
SHA-256 | 37D8DDFE1E40786224A7B48171CBD61551BC05B2590E855B0C39A5597D954BD3 |
SSDEEP | 1536:CVF/DlgqMj+6wIJ7QOeO9zMgmkHJyLquVGpX08pH9gGd/qBBBHNYBHHuHq:8XgqMa6wIJ7p9zMgmUyLypX08pH9gGdR |
TLSH | T16E83F01212FC19CBF5E78E3C9BA2018DA77B38916575D61FA366F1650420188EBFB723 |
insert-timestamp | 1679427281.8256023 |
source | RDS.db |