Key | Value |
---|---|
FileSize | 39284 |
MD5 | EC999B631E19971D0C8416B0E8A2672C |
PackageDescription | GROMACS molecular dynamics sim, NB-LIB development kit GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. . The goal of NB-LIB is to enable researchers to programmatically define molecular simulations. Traditionally these have been performed using a collection of executables and a manual workflow followed by a “black-box” simulation engine. NB-LIB allows users to script a variety of novel simulation and analysis workflows at a more granular level. . This package contains header files for NB-LIB. For the classical GROMACS API, see libgromacs-dev. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libnblib-dev |
PackageSection | libdevel |
PackageVersion | 2021.3-3 |
SHA-1 | 0A0960BD7BAFC8C1E564A8C62ADF035DB6E3B5DD |
SHA-256 | B5F05731F2F414E6EF10593850AD6E1955191D67FD9D196A19B3DC21955E9504 |
hashlookup:children-total | 19 |
hashlookup:trust | 50 |
The searched file hash includes 19 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/include/nblib/simulationstate.h |
FileSize | 3490 |
MD5 | 038056FC3BCDDD37BB01BA5F2C83576D |
SHA-1 | 002133CFE8FEF0C5F7BAA55F1DB21D57BD75313B |
SHA-256 | F4C81D78F963B58E8FF5BE4BD5C29A0C868CE1A83644591060880C10680A0D51 |
SSDEEP | 96:Cq721QMEboEqjzJCm//CWih8xAsEUt+Ei6Utbt6elbdX0:CO21QQPJvnCWih18UEitBseP0 |
TLSH | T14671944A51346737480703A4674F26DA9519C1D7F25995C8309FC3182F4A8F84FFBED5 |
Key | Value |
---|---|
FileName | ./usr/include/nblib/interactions.h |
FileSize | 5329 |
MD5 | 2BFC86F13EAAD8880EA4E3801893F850 |
SHA-1 | 0D688DEC0352A80CA6DBD816A70D5DB91D1E6A95 |
SHA-256 | ABFFE16E7CC59D6559C2DFF3EF039DB3D9463559E24BCBA3D94EE287FE45527A |
SSDEEP | 96:Cq721QMEboEqjzJ/4/ni3eTx7zkUBMrZ00q/di+I0CaNCK9Y:CO21QQPJQ/iw1zkUqZ00q00VY |
TLSH | T109B1750972DA9B73551B03D4AF9BA5D00734911AB3C888C074FE5E2DAF8B8B851B7F94 |
Key | Value |
---|---|
FileName | ./usr/include/nblib/forcecalculator.h |
FileSize | 4711 |
MD5 | DFBB32319B37C0858C709822728E907F |
SHA-1 | 0F76C29A6A58063D315E7ED078C051C96EEB3702 |
SHA-256 | 847B1E6A12D087A81CD88E8449F2401EB0423684A63B5CF9A1013C6FF95C94AA |
SSDEEP | 96:Cv721QMEboEqjzJQ/WAVLD5KkLenaW4kk0S7BNXsgi6C7z1:Cj21QQPJQuAbKQr27gXFwV |
TLSH | T1D8A187A712E50333541B17F2E34E61EA9229D2AD7366658030EF822C7F149694BFBDD8 |
Key | Value |
---|---|
FileName | ./usr/include/nblib/bondtypes.h |
FileSize | 12341 |
MD5 | A3AA22244D5B563CACF764747853E31E |
SHA-1 | 2A84A86384FF04D480EF46D29D14AFFE2156692A |
SHA-256 | B8FF5796D799501D092F2382CF57AC272AFB0B9B107F0C2A26A3600C37AA83BF |
SSDEEP | 384:CO21tJOwxYgLkdhihlvTUT1p+ieSnQbfMsB2BdPHf4Fxb/x9xO:f21HOoYgLkdhihlvTUT14ieSyEwyBfm+ |
TLSH | T12242768373E29B12B1CB01D0D5369352C229E19A767D3950703FC2687FAF451D7A3B9A |
Key | Value |
---|---|
FileName | ./usr/include/nblib/definitions.h |
FileSize | 5925 |
MD5 | 524DEC17AF6573C5E52E5E2B6FFD79A5 |
SHA-1 | 3083DB1C079B645FC847C4E7EEA477188D2B8C64 |
SHA-256 | 95F3FC0E7224ECFF0EE8F98A29441507908300A7180E5F3A7953C2994C36B40C |
SSDEEP | 96:Cq721QMEboEqjc/lbnrYqtOb+2hxuD60Dt3VlZ:CO21QQA9brTGurt39 |
TLSH | T1A4C1211635AB3F31724B08A9715694D186359279639C24C0685FB36C9FDF0F486BFF90 |
Key | Value |
---|---|
FileName | ./usr/include/nblib/nblib.h |
FileSize | 2591 |
MD5 | 7CE0465C5C1BAA101EDB659049422116 |
SHA-1 | 31E5D1EA8B3ADDE8F87460D3CB733A283F42A9E1 |
SHA-256 | E7E5FF423FD5E318865CD7C702B7BE1EDAD07275EDC4D5C5AC8A38A95AD1061C |
SSDEEP | 48:Cre0Eem2syxHDk6F6QNqbov8qjjs/ryodPJYqh6qBAt2:Cq721QMEboEqjjs/XtJdlBAt2 |
TLSH | T1F351224FCE5C0373A8871AE4718FB5E6821BD55972695080306EA758FD451FD0FABEC8 |
Key | Value |
---|---|
FileName | ./usr/share/doc/libnblib0/copyright |
FileSize | 31985 |
MD5 | 16F90358FB401F0FDD5255C7B1FAC3B6 |
SHA-1 | 4BA03D904453D37400A5ADFD505446C2DB94BC9E |
SHA-256 | 4814E82AF6579687925C0AA84469EEAF78433AF534CEF69B759CB17FEEB067FB |
SSDEEP | 768:vZtlhRoba/tyvJDLAfiIqBd3j12lRDLwjFljAsGw2Vjlbqwb+Fo76D1:HB/svJAfi9n2lRoljAsGw2VBTW26D1 |
TLSH | T108E2E76B334403B319E20791A65998C9F22F913E772B6A44787DD218233BB2DD7FB494 |
Key | Value |
---|---|
FileName | ./usr/include/nblib/particlesequencer.h |
FileSize | 2928 |
MD5 | 6F3705EDF2C07989E5582DF35F225791 |
SHA-1 | 657F0CA2D7567CA3A8906EE7A7BEBDEA19C11AF9 |
SHA-256 | 499078AC75F30F36046D5AED24F3BE2D141D8ECE1048177F474268DA7F391AEE |
SSDEEP | 48:Cre0Eem2syxHDk6F6QNqbov8qjzJ9aw/ryD/w/eB0U6gFIWrKOkUi0:Cq721QMEboEqjzJH/2DwSFqWli0 |
TLSH | T16651B85B52D8073259834BE4A78D6DC65229D2AEF2EC948070BF831C2F094A547B2ED1 |
Key | Value |
---|---|
FileName | ./usr/include/nblib/basicdefinitions.h |
FileSize | 4414 |
MD5 | F5BDC894EDEC357A5E3B7C9BFBA860D0 |
SHA-1 | 926DE8BDEE7777367EDBAC0472905CD172AC6210 |
SHA-256 | 38A9D06AEF2C82C9E71BE963F28CC609E907F0952F7935738B18342C338551E5 |
SSDEEP | 96:Cq721QMEboEqjzJt/pc4cw0Kc/Xb3DuQGPtRhs1zEk:CO21QQPJtBsTGVjs17 |
TLSH | T13691960D16001272986204F0AB8BB4DB971BD29A7795F0C4301FC2B82F569EA97F7EC1 |
Key | Value |
---|---|
FileName | ./usr/include/nblib/kerneloptions.h |
FileSize | 3804 |
MD5 | C26CE12B8482DF919B2389F859C8E993 |
SHA-1 | 9742BBCFD1212800B6F949C5B421C82937BB0886 |
SHA-256 | 69D05148E5D9FFDA33B9C37904E50CEEDC6C8AAD6ABD0537F3090FA753D53E81 |
SSDEEP | 96:Cq721QMEboEqjzJmHq/qREUd1aOaZ6VFShKq8Dimb9o:CO21QQPJ5S/8qUhI9Zo |
TLSH | T17371B86E51114336648706E2A74E75F7232ACF3BB15AD040706AC3182F995AACFF7ED8 |