Result for 07EB263B4998513FA65F2DA1EE382499C2B0C79D

Query result

Key Value
FileName./usr/share/pyshared/Vision/Icons/blank.gif
FileSize109
MD507786CBEDBA4B00329EAE95EEDDC4793
SHA-107EB263B4998513FA65F2DA1EE382499C2B0C79D
SHA-256E7582A38EE612A175E8A420C5A6721A17B509F0E66E002F7B89B59DBF855B2AA
SSDEEP3:CFkll4Rat/LylHrWhdt0F3r67NCVWn:kE481jBUo
TLSHT119B012348466C4A5E10181306D45928C213493444C020E062374030D29004006040454
hashlookup:parent-total12
hashlookup:trust100

Network graph view

Parents (Total: 12)

The searched file hash is included in 12 parent files which include package known and seen by metalookup. A sample is included below:

Key Value
FileSize22418632
MD54ADE8254E9421B580D7F3D8877DEBBD7
PackageDescriptionComputer Aided Drug Discovery (CADD) Pipeline This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . The Computer Aided Drug Discovery (CADD) Pipeline is a workflow environment designed to support molecular dyanmics simulations and virtual screening experiments for in silico drug discovery, with a special focus on supporting the use of the Relaxed Complex Scheme. It includes web based access to applications such as NAMD, AutoDock, PDB2PQR, APBS, MGLToos and couples them in a flexible and scalable fashion through cloud computing. It is developed as a standalone application, using Vision (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools#Vision) as the backend engine for visual programming and workflow execution. The scientific applications are made accessible through CADD using Opal Web services (https://www.nbcr.net/pub/wiki/index.php?title=Opal) for scalable and distributed computation. . The workflow components of the CADD pipeline are currently released as Vision networks packaged for specific processes in a modular fashion. These modules may be coupled at ease for more complex processes. In the future, they may also be accessible from workflow repositories such as MyExperiment.org, and from AutoDockTools. The Opal services used in the CADD workflow may be accessed using programmatic access, the Opal Server Dashboard or other workflow clients such as Kepler, VisTrails or Taverna through Opal plugins available at Opal Sourceforge website (http://opal.nbcr.net). . Features . * Automatic launching of NAMD simulation on TeraGrid and NBCR resources, including experimental support for migration of simulation between resources. * Selection of representative snapshots/conformations from MD simulations using clustering tools such as QR factorization from VMD and Ptraj from Amber. * Support of Virtual Screening using AutoDock, AutoDock Vina * Support of Relaxed Complex Scheme based Virtual Screening and Rescoring * Visualization and analysis of Virtual Screening hits
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamemgltools-cadd
PackageSectionnon-free/science
PackageVersion1.5.7~rc1~cvs.20130519-2
SHA-13937DCFB622344137049CF2D6FD1E2289F0DC828
SHA-256176406A1C35F391877D67D3B1F1C3D13D24BFF054B26A8BC3153E8C41946E2AC
Key Value
FileSize4636964
MD5FE33C6A93A1AAFACA8175FD578780082
PackageDescriptionPython-based Visual Programming Environment This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . Vision is a visual-programming environment in which a user can interactively build networks describing novel combinations of computational methods, and yielding new visualizations of their data without actually writing code.
PackageMaintainerDebian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageNamemgltools-vision
PackageSectionnon-free/science
PackageVersion1.5.7-1
SHA-1A51419272A9D15E9553A4B3760F48D50BAD25A93
SHA-256FC48BC1D3C2589D62BA36E09C16DF0263FFF7EAD3A461EA06EEA9B7BBE0A78F9
Key Value
FileSize13868114
MD5DCA85D4E8C475F9FC2ACFEB4F9D9E5B7
PackageDescriptionComputer Aided Drug Discovery (CADD) Pipeline This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . The Computer Aided Drug Discovery (CADD) Pipeline is a workflow environment designed to support molecular dyanmics simulations and virtual screening experiments for in silico drug discovery, with a special focus on supporting the use of the Relaxed Complex Scheme. It includes web based access to applications such as NAMD, AutoDock, PDB2PQR, APBS, MGLToos and couples them in a flexible and scalable fashion through cloud computing. It is developed as a standalone application, using Vision (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools#Vision) as the backend engine for visual programming and workflow execution. The scientific applications are made accessible through CADD using Opal Web services (https://www.nbcr.net/pub/wiki/index.php?title=Opal) for scalable and distributed computation. . The workflow components of the CADD pipeline are currently released as Vision networks packaged for specific processes in a modular fashion. These modules may be coupled at ease for more complex processes. In the future, they may also be accessible from workflow repositories such as MyExperiment.org, and from AutoDockTools. The Opal services used in the CADD workflow may be accessed using programmatic access, the Opal Server Dashboard or other workflow clients such as Kepler, VisTrails or Taverna through Opal plugins available at Opal Sourceforge website (http://opal.nbcr.net). . Features . * Automatic launching of NAMD simulation on TeraGrid and NBCR resources, including experimental support for migration of simulation between resources. * Selection of representative snapshots/conformations from MD simulations using clustering tools such as QR factorization from VMD and Ptraj from Amber. * Support of Virtual Screening using AutoDock, AutoDock Vina * Support of Relaxed Complex Scheme based Virtual Screening and Rescoring * Visualization and analysis of Virtual Screening hits
PackageMaintainerDebian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageNamemgltools-cadd
PackageSectionnon-free/science
PackageVersion1.5.7~rc1+cvs.20140424-1
SHA-1DA52365A67B931DA90398149B4FBCF12944F63C1
SHA-256EE5E1DEF3CFEC7C622FFA075368027046AF22BA94874713D71974D1CF09D54FA
Key Value
FileSize14014562
MD5F4A2BF0180A99590EBDD40411B1986E9
PackageDescriptionComputer Aided Drug Discovery (CADD) Pipeline This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . The Computer Aided Drug Discovery (CADD) Pipeline is a workflow environment designed to support molecular dyanmics simulations and virtual screening experiments for in silico drug discovery, with a special focus on supporting the use of the Relaxed Complex Scheme. It includes web based access to applications such as NAMD, AutoDock, PDB2PQR, APBS, MGLToos and couples them in a flexible and scalable fashion through cloud computing. It is developed as a standalone application, using Vision (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools#Vision) as the backend engine for visual programming and workflow execution. The scientific applications are made accessible through CADD using Opal Web services (https://www.nbcr.net/pub/wiki/index.php?title=Opal) for scalable and distributed computation. . The workflow components of the CADD pipeline are currently released as Vision networks packaged for specific processes in a modular fashion. These modules may be coupled at ease for more complex processes. In the future, they may also be accessible from workflow repositories such as MyExperiment.org, and from AutoDockTools. The Opal services used in the CADD workflow may be accessed using programmatic access, the Opal Server Dashboard or other workflow clients such as Kepler, VisTrails or Taverna through Opal plugins available at Opal Sourceforge website (http://opal.nbcr.net). . Features . * Automatic launching of NAMD simulation on TeraGrid and NBCR resources, including experimental support for migration of simulation between resources. * Selection of representative snapshots/conformations from MD simulations using clustering tools such as QR factorization from VMD and Ptraj from Amber. * Support of Virtual Screening using AutoDock, AutoDock Vina * Support of Relaxed Complex Scheme based Virtual Screening and Rescoring * Visualization and analysis of Virtual Screening hits
PackageMaintainerDebian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageNamemgltools-cadd
PackageSectionnon-free/science
PackageVersion1.5.7-4
SHA-123476D1DFE9CEBEA47C6F6B1D66BFEA8853EA533
SHA-2565FEFE3010B5119470316701C965513BFD288FD001F58735DFFCE77EC4A47BE62
Key Value
FileSize13885286
MD59360CEE8CF3FE34473BE0DDA04BF7217
PackageDescriptionComputer Aided Drug Discovery (CADD) Pipeline This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . The Computer Aided Drug Discovery (CADD) Pipeline is a workflow environment designed to support molecular dyanmics simulations and virtual screening experiments for in silico drug discovery, with a special focus on supporting the use of the Relaxed Complex Scheme. It includes web based access to applications such as NAMD, AutoDock, PDB2PQR, APBS, MGLToos and couples them in a flexible and scalable fashion through cloud computing. It is developed as a standalone application, using Vision (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools#Vision) as the backend engine for visual programming and workflow execution. The scientific applications are made accessible through CADD using Opal Web services (https://www.nbcr.net/pub/wiki/index.php?title=Opal) for scalable and distributed computation. . The workflow components of the CADD pipeline are currently released as Vision networks packaged for specific processes in a modular fashion. These modules may be coupled at ease for more complex processes. In the future, they may also be accessible from workflow repositories such as MyExperiment.org, and from AutoDockTools. The Opal services used in the CADD workflow may be accessed using programmatic access, the Opal Server Dashboard or other workflow clients such as Kepler, VisTrails or Taverna through Opal plugins available at Opal Sourceforge website (http://opal.nbcr.net). . Features . * Automatic launching of NAMD simulation on TeraGrid and NBCR resources, including experimental support for migration of simulation between resources. * Selection of representative snapshots/conformations from MD simulations using clustering tools such as QR factorization from VMD and Ptraj from Amber. * Support of Virtual Screening using AutoDock, AutoDock Vina * Support of Relaxed Complex Scheme based Virtual Screening and Rescoring * Visualization and analysis of Virtual Screening hits
PackageMaintainerDebian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageNamemgltools-cadd
PackageSectionnon-free/science
PackageVersion1.5.7-1
SHA-1EC201FA22DDA7550D82494DDDD9001EDABD8D076
SHA-2565EB4A352D6FDCC639454536C095B46F0D21865A2F7435988116262A66B0B6F78
Key Value
FileSize3814450
MD548FFB687A5122AD6F2D4522E488F7F5E
PackageDescriptionPython-based Visual Programming Environment This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . Vision is a visual-programming environment in which a user can interactively build networks describing novel combinations of computational methods, and yielding new visualizations of their data without actually writing code.
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamemgltools-vision
PackageSectionnon-free/science
PackageVersion1.5.7~rc1+cvs.20140424+dfsg-1
SHA-1D00D1C4103966759B5F3B065463C02407C116303
SHA-256385C07AB1E1D117D64B7AE02B5714659DB86B3572E3C8B7ED762E5712C86E09E
Key Value
FileSize4630920
MD522246C09A32C815FB6659C32D2AB0F4D
PackageDescriptionPython-based Visual Programming Environment This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . Vision is a visual-programming environment in which a user can interactively build networks describing novel combinations of computational methods, and yielding new visualizations of their data without actually writing code.
PackageMaintainerDebian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageNamemgltools-vision
PackageSectionnon-free/science
PackageVersion1.5.7~rc1+cvs.20140424-1
SHA-100C34AE2DDA768AC12E4FF93772A76BA286E7ADD
SHA-2561A56495D07EFABB94BA6CA31BE42D242FB894FD204DBBB01B0ACDB759129D32E
Key Value
FileSize4627160
MD5A15E6EC158BE9945C6CB9100078971AB
PackageDescriptionPython-based Visual Programming Environment This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . Vision is a visual-programming environment in which a user can interactively build networks describing novel combinations of computational methods, and yielding new visualizations of their data without actually writing code.
PackageMaintainerDebian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageNamemgltools-vision
PackageSectionnon-free/science
PackageVersion1.5.7+dfsg-2
SHA-148821AC2C5D2AE225492A8B155F5502F43852963
SHA-256A6499BE515F86174327E047B93A6E0D0AE1D9A629F3BB02A1CB70E792E4DE7A7
Key Value
FileSize14674080
MD54FE3D5D1B8D8C3EE9CC77CA554DE047C
PackageDescriptionComputer Aided Drug Discovery (CADD) Pipeline This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . The Computer Aided Drug Discovery (CADD) Pipeline is a workflow environment designed to support molecular dyanmics simulations and virtual screening experiments for in silico drug discovery, with a special focus on supporting the use of the Relaxed Complex Scheme. It includes web based access to applications such as NAMD, AutoDock, PDB2PQR, APBS, MGLToos and couples them in a flexible and scalable fashion through cloud computing. It is developed as a standalone application, using Vision (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools#Vision) as the backend engine for visual programming and workflow execution. The scientific applications are made accessible through CADD using Opal Web services (https://www.nbcr.net/pub/wiki/index.php?title=Opal) for scalable and distributed computation. . The workflow components of the CADD pipeline are currently released as Vision networks packaged for specific processes in a modular fashion. These modules may be coupled at ease for more complex processes. In the future, they may also be accessible from workflow repositories such as MyExperiment.org, and from AutoDockTools. The Opal services used in the CADD workflow may be accessed using programmatic access, the Opal Server Dashboard or other workflow clients such as Kepler, VisTrails or Taverna through Opal plugins available at Opal Sourceforge website (http://opal.nbcr.net). . Features . * Automatic launching of NAMD simulation on TeraGrid and NBCR resources, including experimental support for migration of simulation between resources. * Selection of representative snapshots/conformations from MD simulations using clustering tools such as QR factorization from VMD and Ptraj from Amber. * Support of Virtual Screening using AutoDock, AutoDock Vina * Support of Relaxed Complex Scheme based Virtual Screening and Rescoring * Visualization and analysis of Virtual Screening hits
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamemgltools-cadd
PackageSectionnon-free/science
PackageVersion1.5.7~rc1+cvs.20140424-1
SHA-1A7D7B75571B5E6C8C48D6E1B2D61FBCCE8A7B369
SHA-2568E1F3FCEC74267408849C6F07E8A411249F4F9FFE2C1C222782A302F02CFE990
Key Value
FileSize3795136
MD5875CCF2503594499E2F0C6FF709AD619
PackageDescriptionPython-based Visual Programming Environment This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . Vision is a visual-programming environment in which a user can interactively build networks describing novel combinations of computational methods, and yielding new visualizations of their data without actually writing code.
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamemgltools-vision
PackageSectionnon-free/science
PackageVersion1.5.7+dfsg-1ubuntu2
SHA-117D92FDED72151DEF1FC4EEFD5449C392251C4E9
SHA-256ADE64D045867D35D8F856542337E6149FD89AF59CEA5AB4AF253A5E64A1990BA
Key Value
FileSize4487076
MD50326828C022CBFE66C30165DC159E4A7
PackageDescriptionPython-based Visual Programming Environment This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . Vision is a visual-programming environment in which a user can interactively build networks describing novel combinations of computational methods, and yielding new visualizations of their data without actually writing code.
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamemgltools-vision
PackageSectionnon-free/science
PackageVersion1.5.7~rc1~cvs.20130519-1
SHA-1A4BD6A1EFC62203CD51AB0A92707755EE2D790A9
SHA-25660ABEE2083DA27D3980129DEE9F7737C3C5231021FE259F93BB63FB711FF3D2D
Key Value
FileSize13967892
MD5584DEEAA8E94B1FCAD1C06429E1CFC3D
PackageDescriptionComputer Aided Drug Discovery (CADD) Pipeline This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. . The Computer Aided Drug Discovery (CADD) Pipeline is a workflow environment designed to support molecular dyanmics simulations and virtual screening experiments for in silico drug discovery, with a special focus on supporting the use of the Relaxed Complex Scheme. It includes web based access to applications such as NAMD, AutoDock, PDB2PQR, APBS, MGLToos and couples them in a flexible and scalable fashion through cloud computing. It is developed as a standalone application, using Vision (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools#Vision) as the backend engine for visual programming and workflow execution. The scientific applications are made accessible through CADD using Opal Web services (https://www.nbcr.net/pub/wiki/index.php?title=Opal) for scalable and distributed computation. . The workflow components of the CADD pipeline are currently released as Vision networks packaged for specific processes in a modular fashion. These modules may be coupled at ease for more complex processes. In the future, they may also be accessible from workflow repositories such as MyExperiment.org, and from AutoDockTools. The Opal services used in the CADD workflow may be accessed using programmatic access, the Opal Server Dashboard or other workflow clients such as Kepler, VisTrails or Taverna through Opal plugins available at Opal Sourceforge website (http://opal.nbcr.net). . Features . * Automatic launching of NAMD simulation on TeraGrid and NBCR resources, including experimental support for migration of simulation between resources. * Selection of representative snapshots/conformations from MD simulations using clustering tools such as QR factorization from VMD and Ptraj from Amber. * Support of Virtual Screening using AutoDock, AutoDock Vina * Support of Relaxed Complex Scheme based Virtual Screening and Rescoring * Visualization and analysis of Virtual Screening hits
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamemgltools-cadd
PackageSectionnon-free/science
PackageVersion1.5.7-3
SHA-11441328D8F628226DFFAE828D91832030722C80D
SHA-256B995882A93F2654FBE34ABFC5AC4B6568B63B58F0376E7E6B53FF2B773BCB829