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Navigation: Home \ Graphic Apps \ CAD \ OpenBabelGUI

OpenBabelGUI

 2.4.1   by Sourceforge

Vista Compatible
Software Description:
OpenBabelGUI is an open, collaborative project allowing anyone to convert, analyze, search or store datafrom molecular modeling, chemistry, biochemistry, or related areas. ... Download OpenBabelGUI


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Released: October 11, 2016
Filesize: 23.00 MB
Platform: Windows XP, Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64, Windows 8, Windows 8 x64, Windows 10, Windows 10 x64
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OpenBabelGUI

- Releases History
Software: OpenBabelGUI 2.4.1
Date Released: Oct 11, 2016
Status: New Release
Software: OpenBabelGUI 2.3.0 RC2
Date Released: Sep 28, 2010
Status: New Release
Release Notes: · New support for 3D coordinate generation using the OBBuilder class.
· Note that this code directly supports non-chiral compounds
· Stereochemistry may or may not be supported in this release
· Significantly faster force fields (up to 200x faster) and support for constrained optimization.
· New force fields, including complete UFF, MMFF94, and MMFF94s implementations.
· Monte Carlo conformer search support, including a new obconformer tool.
· Unified framework for plugin classes, including easy-to program file formats, descriptors, filters, force fields, fingerprints, etc.
· A new "descriptor" plugin framework for QSAR descriptors, etc.
· Initial descriptors include hydrogen-bond donors, acceptors, octanol/water partition, topological polar surface area, molar refractivity, molecular weight, InChI, SMARTS, titles, Lipinski Rule of Five, etc.
· A new "filter" plugin framework for selecting molecules by title, molecular weight, etc.


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