May 29 2023
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GWOVina
Protein-ligand docking programs are indispensable tools for predicting the binding pose of a ligand to the receptor protein. Based on the implementation of AutoDock Vina, GWOVina employs grey wolf optimization (GWO) algorithm to speed up the search for optimal ligand poses.
Updated versions:
1.0 | OS X INTEL
1.0 | Linux 64
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May 29 2023
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Schrodinger
a suite of tools for drug discovery. The Schrodinger suite runs on Linux and Mac workstations, but due to its size, it is not included in our default installation.
Updated versions:
2023-2 | OS X INTEL
2023-2 | Linux 64
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May 26 2023
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pyemma
a Python library for the estimation, validation and analysis Markov models of molecular kinetics and other kinetic and thermodynamic models from molecular dynamics (MD) data.
Updated versions:
2.5.12 | OS X INTEL
2.5.12 | Linux 64
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May 26 2023
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CTFFIND 4
a new version of ctffind (a program for finding CTFs of electron micrographs) that should run significantly faster than CTFFIND 3 and may give slightly improved results when processing data from detectors other than scanned photographic film.
Updated versions:
4.1.14_generic | OS X INTEL
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May 26 2023
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DataWarrior
an Open-Source Program for Data Visualization and Analysis with Chemical Intelligence
Updated versions:
5.5.0 | OS X INTEL
5.5.0 | Linux 64
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May 25 2023
|
GROMACS
a versatile package that performs molecular dynamics of proteins, lipids and nucleic acids.
Updated versions:
2023 | OS X INTEL
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May 24 2023
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ChimeraX
the next-generation molecular visualization program from the Resource for Biocomputing, Visualization, and Informatics (RBVI), 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.
Updated versions:
1.6.1 | OS X INTEL
1.6.1_c9 | Linux 64
1.6.1_c8 | Linux 64
1.6.1 | Linux 64
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May 23 2023
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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:
3.1.4_cu11.8 | Linux 64
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May 23 2023
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CUDA
redistributable software libraries to support CUDA applications for Linux.
Updated versions:
11.8 | Linux 64
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May 23 2023
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MDTraj
A modern, open library for the analysis of molecular dynamics trajectories
Updated versions:
1.9.7 | OS X INTEL
1.9.7 | Linux 64
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May 19 2023
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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:
4.0.1_cu12.1 | Linux 64
|
May 19 2023
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CUDA
redistributable software libraries to support CUDA applications for Linux.
Updated versions:
12.1.1 | Linux 64
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May 18 2023
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ModelAngelo
an automatic atomic model building program for cryo-EM maps.
Updated versions:
1.0.1 | Linux 64
0.2.4 | Linux 64
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May 17 2023
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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:
2.5.5 | OS X INTEL
|
May 17 2023
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SRA Toolkit
(Sequence Read Archive Toolkit) a collection of tools and libraries for using data in the INSDC Sequence Read Archives.
Updated versions:
3.0.5 | Linux 64
3.0.5 | OS X INTEL
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May 16 2023
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mcm-cryoet
Mean curvature motion and levelset motion for cryo-ET
Updated versions:
aee4593 | Linux 64
|
May 16 2023
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TomoTwin-cryoet
a deep metric learning based particle picking procedure for cryo-ET
Updated versions:
0.4.0 | Linux 64
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May 16 2023
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AlphaPulldown
a Python package that streamlines protein-protein interaction screens and high-throughput modelling of higher-order oligomers using AlphaFold-Multimer.
Updated versions:
0.30.5 | Linux 64
|
May 14 2023
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PyMOL (Schrodinger)
PyMOL from Schrodinger LLC
Updated versions:
2.2.3 | Linux 64
|
May 14 2023
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CellProfiler
is a cell image analysis software designed to enable biologists without training in computer vision or programming to quantitatively measure phenotypes from thousands of images automatically.
Updated versions:
3.1.3 | Linux 64
|
May 12 2023
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Careless
merges crystallography data without much physics. It performs scaling, merging, and French-Wilson corrections in a single step by directly inferring structure factor amplitudes from unscaled, unmerged intensities.
Updated versions:
0.2.7 | OS X INTEL
0.2.7 | Linux 64
0.2.6 | Linux 64
|
May 10 2023
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PyMOL (Schrodinger)
PyMOL from Schrodinger LLC
Updated versions:
2.5.5 | Linux 64
2.5.4_404 | Linux 64
2.5.3_386 | Linux 64
2.5.2_293 | Linux 64
2.5.5 | OS X INTEL
2.5.4_420 | OS X INTEL
2.5.3_401 | OS X INTEL
2.5.2_294 | OS X INTEL
|
May 10 2023
|
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:
2.5.5 | Linux 64
|
May 10 2023
|
cryoDRGN
a neural network based algorithm for heterogeneous cryo-EM reconstruction. In particular, the method models a continuous distribution over 3D structures by using a neural network based representation for the volume.
Updated versions:
2.3.0 | Linux 64
|
May 09 2023
|
CellProfiler
is a cell image analysis software designed to enable biologists without training in computer vision or programming to quantitatively measure phenotypes from thousands of images automatically.
Updated versions:
4.2.5 | Linux 64
4.2.5 | OS X INTEL
|
May 09 2023
|
bedtools
a swiss-army knife of tools for a wide-range of genomics analysis tasks. The most widely-used tools enable genome arithmetic. Bedtools allows one to intersect, merge, count, complement, and shuffle genomic intervals from multiple files in widely-used genomic file formats such as BAM, BED, GFF, VCF. While each individual tool is designed to do a relatively simple task (e.g., intersect two interval files), sophisticated analyses can be conducted by combining multiple bedtools operations on the UNIX command line.
Updated versions:
2.31.0 | Linux 64
2.31.0 | OS X INTEL
|
May 07 2023
|
ChimeraX
the next-generation molecular visualization program from the Resource for Biocomputing, Visualization, and Informatics (RBVI), 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.
Updated versions:
1.3 | OS X INTEL
|
May 05 2023
|
VMD
a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.
Updated versions:
1.9.4-a55 | OS X INTEL
|
May 05 2023
|
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:
3.6.5 | OS X INTEL
|
May 05 2023
|
ChimeraX
the next-generation molecular visualization program from the Resource for Biocomputing, Visualization, and Informatics (RBVI), 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.
Updated versions:
1.5 | OS X INTEL
1.4 | OS X INTEL
1.5_sig | OS X INTEL
1.4_sig | OS X INTEL
|
May 03 2023
|
Chimera
a highly extensible, interactive molecular graphics program for interactive visualization and analysis of molecular structures and related data, including density maps, supramolecular assemblies, sequence alignments, docking results, trajectories, and conformational ensembles. It is often a tool of choice for rendering EM volumes.
Updated versions:
1.8.1 | OS X INTEL
1.15 | OS X INTEL
1.14 | OS X INTEL
1.11.2 | OS X INTEL
1.11 | OS X INTEL
|
May 03 2023
|
PyHI
a Python-based GUI program for indexing power spectra of helical assemblies.
Updated versions:
8a98c25 | Linux 64
8a98c25 | OS X INTEL
|