Key | Value |
---|---|
FileSize | 3919522 |
MD5 | B47DA82686703EE5B563CBB49D0FA7E1 |
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 | 1.0.3-5ubuntu4 |
SHA-1 | 0FD268141FA6BDEB5B2C83B8F210C79DACB1D0E1 |
SHA-256 | E13F20327C2A7135AB57852DCB65FE8CCA1B79571C70BD29090AE84BC29F08CE |
hashlookup:children-total | 149 |
hashlookup:trust | 50 |
The searched file hash includes 149 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.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/avogadro/i18n/libavogadro_el.qm |
FileSize | 65293 |
MD5 | D9982307BFE50932B318E69E0E5544C4 |
SHA-1 | 0993D2DE33BBE0DD28CC253AAB2D1A6B945E350A |
SHA-256 | DD69A774FA11630EBC73CDC0E4848BC274DDFBA9B19CB261CD6DA292D6F76D03 |
SSDEEP | 768:GeFN/hc5ewV70GtYzPdxURzPf3Mdb4tNJYcovSnJUhzs0wWyTi:Gez/R2mxtncSS0RF |
TLSH | T1A353105A90EF15C5E98769F85743039EFB9FB1A50820CA7FB3B6F124951D004AFEAE01 |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/libavogadro_it.qm |
FileSize | 118362 |
MD5 | 5C58D0AF436EE8811E6755EE214AC989 |
SHA-1 | 0B820C486643205D0DAB9AA261435BAD1CAC064A |
SHA-256 | 218E7F120CC87693B757EA028CD97EE659AC53E4A9F822B824C169A62E0DA66F |
SSDEEP | 768:Bm60ByFL52zQPE+xoMHatJ1z+mu5lhMHe/lEtnEjSUaVMVkga8aBgFBppAQWbOUF:74zQPE+WJ1z+dQe2VQaBMOQet9oahVGS |
TLSH | T132C31F1262FC258AF5F39F38AB76024DAB7B7D516835C11F5366E06D0430918EBB6B23 |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/avogadro_sr.qm |
FileSize | 1685 |
MD5 | 05D13E583CDFF2A61C5A52A3FADCE55A |
SHA-1 | 0DDEB9407ABE7F698684AAA65EC28A753B089AA6 |
SHA-256 | D9D941FD82782AEDA75B8C54B762FBDEE0DC0B50A6A7040C32A306E2F5624110 |
SSDEEP | 12:HjP/FwNkr4pZvpncvD4KhAKPAjByvp/l0Kl1BxlGCl+XlPGgivpCGm5oMU+RzEvb:HjFXr4p/ncvbGPGgW7fO8uLgelm |
TLSH | T1C831375319B1AAE3D996093C478302CEA30B24E66311D90FD269F52165180C9BBFBCEF |
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/avogadro/i18n/libavogadro_ar.qm |
FileSize | 34303 |
MD5 | 5930FFC456ABDE4B5626AD9B51FDE761 |
SHA-1 | 0F80057901596B6A753ABBAC789FC18378F0E8FB |
SHA-256 | A33AC344B4FB31F7A7BC31A54E24F006773A24C756DCA940493C3F4EF91AE4CD |
SSDEEP | 384:M6tqgZiaJ3FxDLx4rUDgKWLIZ7XKBtVTzrSr8YAV2f/D2pj:ZtzZiM3FxXo9lBtVvrSrO2fLu |
TLSH | T1CBF2FD12D5B828FAE08B593CC78381CDB21B45A602D9997FF37BF1341864198AFFB585 |
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_it.qm |
FileSize | 23908 |
MD5 | DCA41FC78BD743848DF85DAA610F9049 |
SHA-1 | 12C031967DFC38C8D44F362CABE3A3B33C72246D |
SHA-256 | 460A8118EDEC3AEA5E2EF2F83ECC258497BB8AEF1FCA45939680B7EAD94B0C8E |
SSDEEP | 192:8+s/5MQRcOiJ+ULoxNEs3nuEPeYbc4/Y6Y8LCSmiGVlRQBxeZS0JObHh5rKzIVMX:vs5hcbct/c4/Xm9QXZrbgRSHFG |
TLSH | T164B21F4232F8A6ADF2F75F7C6A77024C973B79662A30D11F4250E16C1824454BAB37BB |