Jun 29 2020
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OpenMPI
an open source Message Passing Interface implementation that is developed and maintained by a consortium of academic, research, and industry partners. Open MPI is therefore able to combine the expertise, technologies, and resources from all across the High Performance Computing community in order to build the best MPI library available.
Updated versions:
3.1.6 | Linux 64
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Jun 29 2020
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Geneious
a powerful and comprehensive suite of molecular biology and NGS analysis tools.
Updated versions:
2020.1.2 | Linux 64
2020.1.2 | OS X INTEL
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Jun 29 2020
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DIALS
(Diffraction Integration for Advanced Light Sources) a software project for the analysis of crystallographic diffraction images for many new methods from shutterless, fine-sliced rotation scans to randomly-oriented snapshots of serial crystallography. It uses multiple CPU and GPU machines to increase speed and accuracy based on a comprehensive physical model.
Updated versions:
3.0.2 | OS X INTEL
3.0.2 | Linux 64
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Jun 25 2020
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RADDOSE-3D
a software tool allowing the estimation of the dose absorbed in a macromolecular crystallography diffraction experiment.
Updated versions:
4.0 | Linux 64
4.0 | OS X INTEL
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Jun 24 2020
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DOCK
a molecular docking application used to a) predict binding modes of small molecule-protein complexes; b) search databases of ligands for compounds that inhibit enzyme activity, bind a particular protein, bind nucleic acid targets; c) examine possible binding orientations of protein-protein and protein-DNA complexes; d) help guide synthetic efforts by examining small molecules that are computationally derivatized. Dock is offered in the SBGrid collection in two iterations, Dock 3 and Dock 6.
Updated versions:
6.9_mpi | Linux 64
6.9 | Linux 64
6.9 | OS X INTEL
6.9_mpi | OS X INTEL
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Jun 24 2020
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SRA Toolkit
a collection of tools and libraries for using data in the INSDC Sequence Read Archives.
Updated versions:
2.10.7 | OS X INTEL
2.10.7 | Linux 64
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Jun 23 2020
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OpenMPI
an open source Message Passing Interface implementation that is developed and maintained by a consortium of academic, research, and industry partners. Open MPI is therefore able to combine the expertise, technologies, and resources from all across the High Performance Computing community in order to build the best MPI library available.
Updated versions:
3.1.6 | OS X INTEL
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Jun 22 2020
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BCFtools
a set of utilities that manipulate variant calls in the Variant Call Format (VCF) and its binary counterpart BCF. All commands work transparently with both VCFs and BCFs, both uncompressed and BGZF-compressed.
Updated versions:
1.10.2 | OS X INTEL
1.10.2 | Linux 64
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Jun 19 2020
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DIALS
(Diffraction Integration for Advanced Light Sources) a software project for the analysis of crystallographic diffraction images for many new methods from shutterless, fine-sliced rotation scans to randomly-oriented snapshots of serial crystallography. It uses multiple CPU and GPU machines to increase speed and accuracy based on a comprehensive physical model.
Updated versions:
3.0.1 | OS X INTEL
3.0.1 | Linux 64
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Jun 17 2020
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XDS
(X-ray Detector Software) a software tool for processing single-crystal monochromatic diffraction data recorded by the rotation method.
Updated versions:
20200417 | OS X INTEL
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Jun 15 2020
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PyMOL
widely used molecular visualization package developed by Warren DeLano, now maintained by Schödinger, LLC. This installation includes official incentive builds of PyMOL.
Updated versions:
2.2.3 | OS X INTEL
2.2.3 | Linux 64
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Jun 15 2020
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CUDA
redistributable software libraries to support CUDA applications for Linux.
Updated versions:
9.2.148 | Linux 64
9.1.85 | Linux 64
9.0.176 | Linux 64
8.0.61 | Linux 64
8.0.44 | Linux 64
7.5.18 | Linux 64
10.2.89 | Linux 64
10.1.105 | Linux 64
10.0.130 | Linux 64
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Jun 12 2020
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OpenMPI
an open source Message Passing Interface implementation that is developed and maintained by a consortium of academic, research, and industry partners. Open MPI is therefore able to combine the expertise, technologies, and resources from all across the High Performance Computing community in order to build the best MPI library available.
Updated versions:
3.1.6_slurm-20.02.03 | Linux 64
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Jun 10 2020
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CUDA
redistributable software libraries to support CUDA applications for Linux.
Updated versions:
9.2.88 | Linux 64
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Jun 07 2020
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BioXTAS RAW
a program for analysis of SAXS data that enables creation of 1D scattering profiles from 2D detector images, standard data operations such as averaging and subtraction, analysis of radius of gyration (Rg) and molecular weight, and advanced processing using GNOM, DAMMIF, and AMBIMETER. It also allows easy processing of inline SEC-SAXS data.
Updated versions:
2.0.1 | Linux 64
2.0.1 | OS X INTEL
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Jun 07 2020
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ARIA
(Ambiguous Restraints for Iterative Assignment) a software that automates NOE assignment and NMR structure calculation.
Updated versions:
2.3.2 | Linux 64
2.3.2 | OS X INTEL
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Jun 04 2020
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OpenBabel
a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
Updated versions:
3.1.1 | Linux 64
3.1.1 | OS X INTEL
2.4.1 | OS X INTEL
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Jun 04 2020
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Perl
is a highly capable, feature-rich programming language with over 30 years of development. Perl runs on over 100 platforms from portables to mainframes and is suitable for both rapid prototyping and large scale development projects.
Updated versions:
5.30.1 | Linux 64
5.30.1 | OS X INTEL
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Jun 03 2020
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ChimeraX
a next-generation molecular visualization program, following UCSF Chimera. Compared to Chimera, ChimeraX has improved graphics (e.g. interactive ambient shadows); faster handling of large structures (millions of atoms); and a more modern, single-window user interface. ChimeraX will have documented programming interfaces and an easy-to-use “Tool Shed” web repository of extensions.
Updated versions:
0.93 | Linux 64
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Jun 03 2020
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BLAST+
a suite of BLAST (Basic Local Alignment Search Tool) tools that utilizes the NCBI C++ Toolkit with a number of performance and feature improvements over the legacy BLAST applications.
Updated versions:
2.10.0 | Linux 64
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Jun 02 2020
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Bsoft
a collection of programs and a platform for the development of software for image processing of electron micrographs, interpretation of reconstructions, molecular modeling, and general image and molecular processing.
Updated versions:
2.0.7 | Linux 64
2.0.7 | OS X INTEL
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Jun 01 2020
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SBGrid Installer
a graphical installation client used to install the SBGrid software collection on Apple OSX computers running MacOSX v10.13 - 10.15. Users can cherrypick a subset of applications for installation on their laptops or desktops. Software updates are highlighted, but users trigger the software update manually at their convenience.
Updated versions:
1.0.695 | Linux 64
1.0.695 | OS X INTEL
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