Key | Value |
---|---|
FileSize | 3539114 |
MD5 | 124333027282C4C344F14798DD96D949 |
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 MOTU Developers <ubuntu-motu@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 1.0.0-2ubuntu3 |
SHA-1 | 08B5C40319D039DFE2F51CD00D50321F51EA71D8 |
SHA-256 | 0FB580EAB328DA87D07F7DAB956A1837E55F0C98F95035FDBACE45458782EB84 |
hashlookup:children-total | 120 |
hashlookup:trust | 50 |
The searched file hash includes 120 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/libavogadro_es.qm |
FileSize | 158347 |
MD5 | 47A497AEB0E4ACB5F704C7C95986A791 |
SHA-1 | 046A7BBF8F841400CFC8EED89F6F33E66D17561E |
SHA-256 | 0BD890CFDDBFC314802538CD95FC7E06876D19CA56C5EDA599CDF3B756ECFDE4 |
SSDEEP | 1536:/EECjJxD8/Rkk1H3hJeMDudSgrpEJpyhoih7s9VpTxPqt:/EHjJxDs3pubrpEnyhW3qt |
TLSH | T141F3EC5113FC268AF5F35B7CAB76028D9F7B7891A435C11F5326E1690830A48DE7AB23 |
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 |
---|---|
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/avogadro_pt_BR.qm |
FileSize | 22234 |
MD5 | A3BFDD3C095A9E98DA91F00D48062E57 |
SHA-1 | 0F77D82ABBC1300E1CB1A78CD9BF467C456D6895 |
SHA-256 | 8E95BEB18AE68F711AF4315B026FD8D0CF318C9C8985480981B4389BE96FBAEA |
SSDEEP | 384:w3H2fN+cSzJdvs6euR9GXKY1l9RemmpwRFCQKGe/edBYq:w3WfN3Sz39RGxX8m6wHCLG82 |
TLSH | T1BEA2EF8222F4ABA9F6F74E7C57B7425D973734B62A30D11F4120E2241C34581AAB77BB |
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/man/man1/avogadro.1.gz |
FileSize | 470 |
MD5 | 03033C714FB7EE45127498AB4BF77B26 |
SHA-1 | 1258C0CAA4EBBBD12A4D67B9EA54B146FA662598 |
SHA-256 | 0083CF15C85DED981EF42E659E715A2850DC6BAFE36D39614B3872B0409FCDC2 |
SSDEEP | 12:XkGLCRmEZ+w4p7J8otMb5EOjb5ATqGlOWDsYJ8M0ZRkV:XkG+vh4p7J8tdVFGlO7YmMHV |
TLSH | T177F0D401DB9D03C189D5EB7053AE278656A84852D3FB9049D541B40E87256937C64022 |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/libavogadro_zh_TW.qm |
FileSize | 111694 |
MD5 | 1A91E98E994707977606B8C21D1064C8 |
SHA-1 | 13A7FB425B86F1772AA9743E4B5C0B9249C3D21F |
SHA-256 | 257FE6B50A7F684748D447982D3F0AD5036842CC208E9F9E8C1594931E305112 |
SSDEEP | 1536:pXOnDkXVm1hR7uykCeMcfJ6EechLtnaGxlYBh:JOEg1hoaeMQesBaV/ |
TLSH | T106B34D6651FC29C6F997497C8787028DB76B20A520618B2FA3BBF1B5101454CEFBFB12 |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/libavogadro_ja.qm |
FileSize | 20583 |
MD5 | A8E6D4DBEA8E66EB3B0BE64829C22EE1 |
SHA-1 | 1494EAF2E34D0FA2271B63B8DBDF05FE1C649FE5 |
SHA-256 | CA3FEF0BA432FF4E2B48DE5ABDA4E281200AAECB1261FF201EA4AA55233E9567 |
SSDEEP | 384:ysr+nNM+GuIqFvu79fSjnbUIM+3vSJNGy1rSW0Pkxe+Aqx+fsfO:vrbz7DSjbUIM+3vSTG/Pqe3PfsW |
TLSH | T16992F16266B528CAF087193C274550CE771FAE961176CE4FB32AF11B255098C6BFEB20 |
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/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 |