Search Results for "pymol"
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Showing 18 open source projects for "pymol"
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Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other...">
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
- Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us... -
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SBEVSL is a collaborative project between Dowling and RIT on the development of a Structural Biology Extensible Visualization Scripting Language, so that users can move freely among various molecular graphics tools, such as rasmol, pymol, raster3d, etc.
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PyMOL Molecular Graphics System
PyMOL is an OpenGL based molecular visualization system
The Open-Source PyMOL repository has been moved to github: https://github.com/schrodinger/pymol-open-source We still use the pymol-users mailing list here on sourceforge. Please subscribe for community support: https://pymol.org/maillist (Note: SourceForge email newsletter and special offers are optional and can be unchecked) The PyMOL community wiki has its own home: https://pymolwiki.org/ -
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DEPRECATED - KVFinder
Cavity Detection PyMOL plugin
The KVFinder software, originally published in 2014, is deprecated. We published more recent software: parKVFinder and pyKVFinder. [parKVFinder] A Linux/macOS version is available in this GitHub repository, https://github.com/LBC-LNBio/parKVFinder, while a Windows version is in this GitHub repository, https://github.com/LBC-LNBio/parKVFinder-win. Please read and cite the original paper ParKVFinder: A thread-level parallel approach in biomolecular cavity detection... -
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ProtPOS
Prediction of PROTtein Preferred Orientation on a Surface
... simulations. ProtPOS is implemented in Python, making use of the PyMOL library for generating protein conformations and calling GROMACS externally to calculate protein-surface interaction energies. https://cbbio.online/software/protpos/ -
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xPyder PyMOL Plugin
Analyze and visualize coupled residues and their networks in proteins
xPyder is a PyMOL plugin to analyze and visualize on the 3D structure dynamical cross-correlation matrices (DCCM), linear mutual information (LMI), communication propensities (CP), intra- and inter-molecular interactions (e.g. PSN), and more, to produce highly customizable publication-quality images. xPyder identifies networks (using concepts from graph theory, such as hubs and shortest path searching), compares matrices and focuses the analysis on relevant information by filtering the data... -
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PyMod
(OBSOLETE) PyMOL Plugin for Homology Modeling of Protein Structures
This is the UNOFFICIAL mirror to PyMod. Since the release of PyMod2.0, this repository will no longer be maintained. -
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PolySim
Polymer simulation utilites
... to visualize with pymol. For specific non-pdb input/output of 2nd program there are convertation utils also available. Programs are expected to compile in gcc under cygwin or pure linux environment. Scripts to run many copies of program under pbs/torque cluster system are also available. -
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PyInteraph
analysis of interaction networks in structural ensembles of proteins
... be thoroughly analyzed using included network analysis tools, which are able to point out the most important features of the network for the discovery of paths of structural communication in proteins. The tool works best together with the xPyder PyMOL plugin ( http://xpyder.sourceforge.net ), which allows for further analysis and easily understandable representation of the calculated networks and graphs. -
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Bugs
SW for HTP analysis of 3D trajectories of microorganisms
... for distortions arising from media shift, shrinkage/expansion; analytically-derived instantaneous velocity, curvature and twist/torsion parameters calculated at regularly-sampled spatial intervals along the Fourier-smoothed trajectory; facilities for direct visualization and analysis of the raw and Fourier-fit trajectories, and their derived parameters, via interface with molecular graphics software (eg, PyMol.) -
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LiS Chemical Informatics
Gerald Lushington's chemical informatics development
This site distributes open source chemical informatics tools developed by Gerald Lushington (principal consultant at LiS Consulting). Software from this site may be used freely and revised as is useful, with the proviso that credit be given in the form of citation or link back to http://gerrylushington.users.sourceforge.net/. The latest tool deposited here (see Code directory) is designed to graphically render (in PyMol) spatial affinity trends derived from molecular docking simulations... -
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PyMOL Plugins aims to provide many plugins for the PyMOL software. You can find further informations about PyMOL on this website: http://www.pymol.org/
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PreDyJE
PreDyJE is a python tool to calculate dehydrons in a protein.
PreDyJE is a python tool to calculate dehydrons in a protein PDB. Dehydrons are solvent-exposed hydrogen bonds. It runs in command-line, but a Pymol script has been developed as well. Dehydrons can be visualized in Pymol with another plugin. Structure of the program is available in the documentation. -
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MIPGen
Simple Molecular Interaction Potential Generator in Python
Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome... -
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This plugin extends the PyMOL molecular visualization program to include tools for visualizing unit cells, symmetry axes, space groups, and symmetry partners. Contact: srballard@wisc.edu. Dedicated to Warren Delano.
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--UPDATE-- New Version is now integrated in the official PyMOL plugin repository! --UPDATE-- The BNI (Beyond Normal Interaction)- Tools is a plug in for the PyMOL molecular visualization system which adds additional functionalities and presets to the PyMOL GUI and also adds useful extended commands.
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