Key | Value |
---|---|
FileSize | 3657598 |
MD5 | C29639F46F260518A5DF13C472C4F428 |
PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targetted 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 | 1.0.1-3 |
SHA-1 | 05CD7ACBA821AB8BC24A2C9F4C856BA4A7B03CEC |
SHA-256 | 00FF803BBC50FB0EF5A05CFF98B08B36A0E1BCAA5ADA0CC49447CA0D11C15F90 |
hashlookup:children-total | 135 |
hashlookup:trust | 50 |
The searched file hash includes 135 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/man/man1/avopkg.1.gz |
FileSize | 388 |
MD5 | 4A4C17BB06030602AC14432238DCD081 |
SHA-1 | 0310A3DA62869524F2B8C05E9CEA9D5780E5D58F |
SHA-256 | E1C38B65A6E632FBEAF0CBC37290D0F59583202DDDE4DDCA70C008E0359A5CB2 |
SSDEEP | 6:XtdTijnNrchCD+TRYoKpCApw4zGVCtcKBUygJzOCB68hFGYtVcNcetr7QWUEakll:XyNIfStUAp5KoqiUygzdA8CxQW9ak/ |
TLSH | T104E0F11E41D9F4D4806052270B590464CFC1F121C399D69CE77AE548710F4C02499218 |
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/avogadro/i18n/libavogadro_da.qm |
FileSize | 84274 |
MD5 | E845FC1E96584F13D552A4580F885E83 |
SHA-1 | 08D718A8F702EA975CD3431E57AAEAD431127A9B |
SHA-256 | B20D0AD44B693D8F2F1BEA020311CE14BD883DCC3BD33972B961CC665C980C86 |
SSDEEP | 768:P1MxsVHct6VnS/m6j1CRLly5yf9UvyUSNmpx2iZk7KI:POSVHct65Scxly5yf9+yUrpxlk7F |
TLSH | T15783110213E825CEF5F75B78AFB6428C636ABCD56434D61F9266E15C0530288EBF6732 |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/libavogadro_nl.qm |
FileSize | 120568 |
MD5 | C9EC9CA29D609CA9F544E7B1FA561011 |
SHA-1 | 09BF745D740282CE14F5C2051AEB4E7D0F1846D7 |
SHA-256 | A6791B3BD4599E71BD25C79032F4DFD17076A95ADAC8932616219B99A2237B27 |
SSDEEP | 1536:+n5FQX5PQOJwKteUHxu1G5AzT2Eyzovr7IUGeTa4bri4Qym6AR:U5CJQOJwK8URB5k2TgXIUGWa4qNR |
TLSH | T103C3004222F8558DF5F35B786BB6428C9BBA7C916431C21F5366E0AD0530644EFBAB33 |
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 |
---|---|
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 |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/avogadro_pt_BR.qm |
FileSize | 23669 |
MD5 | 59078AF871613B4D31CE124BAB1D723D |
SHA-1 | 14C2EF26D583907E7253BFC1700FE29BC80D65F6 |
SHA-256 | 955271F2AC67D659A95686E7F154C22C1ED9184B644FF1F3B0A665E6EAE4F657 |
SSDEEP | 384:1dnvGLf/+cSzJdvs6euRfGXKYyx09R0mmpwRFrrKjepedStG:19vGz3Sz39RAEGum6wHrOjuNG |
TLSH | T105B20E8222F4AAA9F6F74E7C57B7435D973734A62A30D11F4220E1241C34981BAB777B |
Key | Value |
---|---|
CRC32 | BDD30471 |
FileName | ./usr/share/doc/avogadro/examples/ZnO.fract |
FileSize | 155 |
MD5 | F897AA81B1E655F05B7DD8AB06658090 |
OpSystemCode | 362 |
ProductCode | 15084 |
RDS:package_id | 182052 |
SHA-1 | 15FF331B2E5EEB8BAC86F8DB8785167BAD62A8E6 |
SHA-256 | 063185D6D88366A95CB8143699EF2B7E28E2E3B5FCB0E7403024C69E1DDA7933 |
SSDEEP | 3:tzLURFM8ocVhiLWCfe7RWdL/aWWWWdLCpXe7RWdL//QWWdLCKn:BLURqkVhi67lWJ/aWRWJCpOlWJzWJCKn |
SpecialCode | |
TLSH | T116C04842B30121C4501CFA40B0B9BA91AA8EBD6F34C48CE881889880A876CCA42D2887 |
db | nsrl_modern_rds |
insert-timestamp | 1679427281.4392471 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/avogadro_oc.qm |
FileSize | 2769 |
MD5 | 84607B4831493B9AEB2A365DAEA2C11D |
SHA-1 | 187A6A4A05DACC572CA301F13D9D23B0F93D85D0 |
SHA-256 | EA388B7C14C2D81508C71D564962D9989E460BE00D2D7D86672FAF374D93E3DF |
SSDEEP | 48:Nsf+jZ2su5iGB+pBQ+pgmmrGUHDOmOgelZ:N+ieiG4Mw+TDE7Z |
TLSH | T14A51804122B49FEAF1F34E7C4786018DE73B54AB2A30D51F8262E27419149457EFB3BA |
Key | Value |
---|---|
FileName | ./usr/share/doc/avogadro/examples/VASP-8LiH/POTCAR.gz |
FileSize | 95639 |
MD5 | EE37F46BA500EFFA1E5DD07136BE4087 |
RDS:package_id | 182052 |
SHA-1 | 1A1E9E84BE02135FBC9D1481ACCF005345CCD269 |
SHA-256 | FF6A815CAA34DC2ABA31140D628A342E3FE46E5106DDE42E47A87AE9F7F6623E |
SSDEEP | 1536:z1ZA/fIfxU7uneDFpofWwhuiyjPfZpQ4j25c55Gk+5UiH0VR15Hg0Wzei:ZZAuUQIpCtqPfZpJ6+55GkEAVxHg0Wzt |
TLSH | T1C093023E666C1DC0E5CC1655E065729A521DE810F7A376AA24CEEE7830C37CC7D8B85A |
insert-timestamp | 1679427281.073837 |
source | RDS.db |