Filewatcher File Search File Search
Catalog
Content Search
» » » » »

openbabel-gui

Chemical toolbox utilities (graphical user interface)

Variants:
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:

* Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation

File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.

This package contains the openbabel GUI based on wxWidgets.

Homepage:
Package version:2.3.1+dfsg-4
Architecture:amd64
Distribution:Debian
Filename:openbabel-gui_2.3.1+dfsg-4_amd64.deb

/usr/share/man/man1/OBGUI.1.gz

OBGUI(1)               User's Reference Manual              OBGUI(1)

NAME
     obrotamer — generate conformer/rotamer coordinates

SYNOPSIS
     obrotamer

DESCRIPTION
     The GUI interface is an alternative to using the command line
     and has the same capabilities. The functionality of the GUI
     mirrors that of obabel(1).

SEE ALSO
     obabel(1).

     The web pages for Open Babel can 
more»

/usr/share/doc/openbabel-gui/changelog.Debian.gz

openbabel (2.3.1+dfsg-4) unstable; urgency=low

  [ Andreas Tille ]
  * debian/upstream: Use BibTeX Syntax for authors.

  [ Daniel Leidert ]
  * debian/control (Uploaders): Fixed my address.
    (Build-Depends): Added libcairo2-dev. Dropped python-support.
    (Depends): Added libjs-jquery for jquery.js in libopenbabel-doc.
  * debian/libopenbabel-doc.links: Added to link jquery.js.
  * debian/li
more»

/usr/share/doc/openbabel-gui/changelog.gz

2010-10-29  Konstantin Tokarev <annulen@yandex.ru>

	* scripts/CMakeLists.txt: fixed behavior of build system if some of
	JNI dependencies were not found

2010-10-29  Konstantin Tokarev <annulen@yandex.ru>

	* scripts/CMakeLists.txt: added dependency 'openbabel' to target
	'_openbabel' (Python bindings)
	
	On non-Windows platfroms Python module is linked by custom script
	which is not aware of tar
more»

/usr/share/doc/openbabel-gui/copyright

This package was debianized by Michael Banck <mbanck@gmx.net> on
Wed, 28 Nov 2001 23:25:19 +0100.

I
more»

Browse inside openbabel-gui_2.3.1+dfsg-4_amd64.deb

         [DIR]DEBIAN/ (2)  65535+ mirrors
         [DIR]usr/ (2)  65535+ mirrors

Download openbabel-gui_2.3.1+dfsg-4_amd64.deb

Results 1 - 1 of 1
Help - FTP Sites List - Software Dir.
Search over 15 billion files
© 1997-2016 FileWatcher.com