Feb 25 2022
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SAMtools
(Sequence Alignment/Map) a generic format for storing large nucleotide sequence alignments that provides various utilities for manipulating alignments, including sorting, merging, indexing and generating alignments in a per-position format.
Updated versions:
1.15 | OS X INTEL
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Feb 24 2022
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MODELLER
used for homology or comparative modeling of protein three-dimensional structures. From a sequence alignment with known related structures, MODELLER automatically calculates a model containing all non-hydrogen atoms using comparative protein structure modeling by satisfaction of spatial restraints. It can also perform de novo modeling of loops in protein structures and optimize various models of protein structure with respect to a flexibly defined objective function, multiple alignment of protein sequences and/or structures, clustering, searching of sequence databases, comparison of protein structures, etc.
Updated versions:
10.2 | Linux 64
10.2 | OS X INTEL
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Feb 23 2022
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APBS
(Adaptive Poisson-Boltzmann Solver) a software package designed for the numerical solution of the Poisson-Boltzmann equation (PBE), solves the equations of continuum electrostatics for large biomolecular assemblages.
Updated versions:
3.4.0 | Linux 64
3.4.0 | OS X INTEL
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Feb 23 2022
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NMRPipe
a set of comprehensive facilities for Fourier processing of spectra in one to four dimensions, as well as a variety of facilities for spectral display and analysis. This is the official NMRScience version of NMRPipe.
Updated versions:
20210915 | Linux 64
20210915 | OS X INTEL
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Feb 22 2022
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nmrglue
a python module for reading, writing, and interacting with the spectral data stored in a number of common NMR data formats.
Updated versions:
0.8 | Linux 64
0.8 | OS X INTEL
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Feb 18 2022
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CCP-EM
(Collaborative Computational Project for Electron cryo-Microscopy) a software framework and resulting software suite that includes tools for project and data management along with a focus on building and refinement of atomic models into cryo-EM reconstructions. The framework allows easy access to various programs and utilities from collaborators via Python task wrappers and a user-friendly graphical user interface or a command-line interface suitable for scripting.
Updated versions:
20220125 | Linux 64
20220125 | OS X INTEL
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Feb 17 2022
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ORCA
an electronic structure program package that is a flexible, efficient, and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules.
Updated versions:
5.0.3 | Linux 64
5.0.3 | OS X INTEL
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Feb 17 2022
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Geneious
a powerful and comprehensive suite of molecular biology and NGS analysis tools.
Updated versions:
2022.0.2 | Linux 64
2022.0.2 | OS X INTEL
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Feb 16 2022
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BUSTER
a software system containing crystallographic structure refinement using Bayesian statistical methods (BUSTER), ligand fitting (rhofit) and a fully automated pipeline (Pipedream) to drive a structure based fragment/ligand screening pathway.
Updated versions:
20220203 | OS X INTEL
20220203 | Linux 64
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Feb 15 2022
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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:
4.0-beta2_cu11.5 | Linux 64
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Feb 14 2022
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XChemExplorer
XChemExplorer (XCE) is a data management and workflow tool for the parallel determination of protein-ligand structures.
Updated versions:
1.8.2 | Linux 64
1.4.0 | Linux 64
1.8.2 | OS X INTEL
1.4.0 | OS X INTEL
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Feb 11 2022
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MotionCor2
a multi-GPU program that corrects beam-induced sample motion on dose fractionated movie stacks. It implements a robust iterative alignment algorithm that delivers precise measurement and correction of both global and non-uniform local motions at single pixel level across the whole frame, suitable for both single-particle and tomographic images.
Updated versions:
1.4.7 | Linux 64
1.4.5 | Linux 64
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Feb 08 2022
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OpenJDK
(Open Java Development Kit) is a free and open source implementation of the Java Platform, Standard Edition (Java SE).
Updated versions:
zulu11.54.23-ca-jdk11.0.14-linux_x64 | Linux 64
zulu11.54.23-ca-jdk11.0.14-macosx_x64 | OS X INTEL
zulu7.38.0.11-ca-jdk7.0.262-macosx_x64 | OS X INTEL
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Feb 07 2022
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PyTOM
unifies standard tomogram processing steps in a single python-based toolbox. For subtomogram averaging, we implemented an adaptive adjustment of scoring and sampling that clearly improves the resolution of averages compared to static strategies.
Updated versions:
0.994 | Linux 64
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Feb 06 2022
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PyEM
Python modules and command-line utilities for electron microscopy of biological samples.
Updated versions:
20220131 | Linux 64
20220131 | OS X INTEL
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Feb 04 2022
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CUDA
redistributable software libraries to support CUDA applications for Linux.
Updated versions:
11.5.2 | Linux 64
11.5 | Linux 64
11.4 | Linux 64
11.3.1 | Linux 64
11.3 | Linux 64
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Feb 01 2022
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PHENIX
(Python-based Hierarchical Environment for INtegrated Xtallography) a software suite for the automated determination of molecular structures using X-ray crystallography and other methods.
Updated versions:
1.20.1-4487 | Linux 64
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