Jul 29 2020
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ACEMD
a heavily optimized molecular dynamics (MD) engine specially designed to run on NVIDA GPUs. It is extremely fast (115ns/day for DHFR using 1 GPU) and performs MD simulations on the microsecond scale in a single workstation. ACEMD can read CHARMM/NAMD and AMBER input files, works with CUDA and OpenCL, and uses similar syntax to other MD software.
Updated versions:
3.3.0 | Linux 64
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Jul 28 2020
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ALEPH
a bioinformatics tool to generate customized fold libraries for fragment-based molecular replacement. It provides several algorithms to interpret and analyze protein structures.
Updated versions:
1.2.7 | Linux 64
1.2.7 | OS X INTEL
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Jul 28 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:
5.30.3 | Linux 64
5.30.3 | OS X INTEL
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Jul 22 2020
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ATSAS
a program suite for small-angle scattering (SAXS) data analysis from biological macromolecules.
Updated versions:
3.0.2 | OS X INTEL
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Jul 16 2020
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Python
a general-purpose, interpreted, object oriented, high-level dynamic programming language that emphasizes code readability. Its syntax allows programmers to express concepts in fewer lines of code than in C++ or Java, thus allowing programmers to work more quickly and integrate their systems more effectively.
Updated versions:
2.7.18 | Linux 64
2.7.18 | OS X INTEL
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Jul 16 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:
5.18.2 | OS X INTEL
5.18.2 | Linux 64
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Jul 13 2020
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ProFit
the ultimate protein least squares fitting program.
Updated versions:
3.3 | Linux 64
3.3 | OS X INTEL
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Jul 10 2020
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XDSGUI
a GUI (graphical user interface) for XDS designed to help both novice and experienced users; it enables XDS data processing without the command line and supplies additional graphical information in a simple, user-modifiable and user-extensible way. It graphically displays the ASCII and cbf files that XDS writes and can run useful shell commands with a simple mouse click.
Updated versions:
20190417 | OS X INTEL
20190417 | Linux 64
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Jul 08 2020
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RELION
(REgularised LIkelihood OptimisatioN) a stand-alone computer program for Maximum A Posteriori (MAP) refinement of (multiple) 3D reconstructions or 2D class averages in cryo-electron microscopy.
Updated versions:
2.1_cu8.0 | Linux 64
1.4b | Linux 64
1.4-randomphase3d | Linux 64
1.4 | Linux 64
1.3 | Linux 64
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Jul 08 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:
3.1.0 | Linux 64
2.1.3 | Linux 64
2.0.2 | Linux 64
1.8.4 | Linux 64
1.6.3 | Linux 64
1.4.2 | Linux 64
1.10.7 | Linux 64
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Jul 08 2020
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GROMACS
a versatile package that performs molecular dynamics of proteins, lipids and nucleic acids.
Updated versions:
2019.4_cu9.2.88_plumed | Linux 64
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Jul 06 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_compat | Linux 64
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