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– Analyzes Biological Activities of small molecules (drugs, drug-like compounds, natural products, etc.) by calculating their potential, SAR and Tox Box scores and the ability to bind to a target.
– Calculates and visualizes molecular shapes, chemical fragments, their 3D/2D properties and builds pharmacophore models.
– Calculates optimal molecular weight, theoretical pKa, solubility, and the logarithm of the octanol-water partition coefficient.
– Produces 3D pharmacophore maps, generates 3D/2D representation of compounds.
– Automatically sets up and calculates common and original pharmacophore models based on the final output.
– Produces 3D/2D structures and uses them to generate interactions with a target (SAR prediction), generates possible toxophore molecules and creates their 3D structures.
– Calculates molecular fields and descriptors.
– Contains powerful database search engine – allows to find similarity between an unknown compound and a database compound.
– Provides multiple representations and file formats of structures.
– Contains huge support for compound files from many sources including MOL2, SDF, PDB, PDBQA, CDK, CSAR, Excel, and Protein Data Bank files.
– Contains help file and quick start guide.
– Supports Windows 7, 8, and 10, and GNU/Linux platforms.
– Includes Python 2.7.6, 3.4, 3.5, 3.6, 3.7 and 3.8
– Uses open source libraries including MySQL, Blender, Freeciv, OpenCV, Chem-Doodle, Tkinter, PyPy, PyQt5, PySide, gi.Tk, PyGtk, Open3D.
– Written in Python 3.x and PyQt5.
– PyRx is released as free open source software.
FUTURE PLANS:
– Implementation of many additional features and improvements will be made in the next releases of PyRx.
– Implementation of additional features and improvements will be developed as the free and open source project.

October 15, 2019

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A robust effect that restores damaged audio files to their original state.It takes even the slightest damage in audio files, such as clips with background noise, music with scratches, etc. and it will restore that audio file to its original state. Keymover not only restores damaged audio files, but it also allows you to make some tweaks to restore audio files in a more customized manner.
KEYmover is a companion for the Kontakt sampler, and it provides you with some of the best audio restoration tools. It’s a very versatile audio restoration tool, and it is perfect for any genre from jazz to acoustic/electronica.
If you’re looking for an efficient audio restoration tool that helps you to bring your damaged audio files back to life in no time, Keymover is worth a try.
If you’re looking to get the best recording quality and at the same time save time with a powerful audio restoration tool, then Keymover is right for you.
KEYmover can repair your damaged audio in real time, and it also allows you to make some simple adjustments before the restoration process. The user interface is pretty intuitive, and you can start repairing files right away without reading a single word.
Keymover has some fantastic tools for audio restoration, such as the Peak Hold feature, which is one of the best effects for restoring damaged audio files. The effects found in Keymover include:
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Keymover comes with some of the best audio restoration tools, such as the Peak Hold feature, which is one of the best effects for restoring damaged audio files.
Features:
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