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XDrawChem 1.9.9

XDrawChem 1.9.9


XDrawChem is a chemical drawing program. more>>
XDrawChem is a two-dimensional molecule drawing program for Unix operating systems. XDrawChem is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft).
It can read and write MDL Molfiles, and read ChemDraw text and binary files, to allow sharing between XDrawChem and other chemistry applications, and it can create images in popular formats like PNG and EPS. XDrawChem has been tested on Linux, SGI IRIX 6.5, Sun Solaris, Mac OS X, and Windows.
Main features:
- 100% compatible Windows 95/98/NT version
- Fixed length, fixed angle drawing.
- Automatic alignment of figures. Detects structures, text, and arrows and places them automatically.
- Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in built-in library.
- Can retrieve structures from a network database based on CAS number, formula, or name.
- Can draw symbols such as partial charge, radicals, etc.
- Can read MDL Molfiles, CML [Chemical Markup Language, defined in J. Chem. Inf. Comput. Sci.39(1999), 928-942], ChemDraw(TM) binary format, ChemDraw(TM) XML text format.
- Can write MDL Molfiles, CML, ChemDraw(TM) XML text format.
- Can also read and write any format supported by the current release of OpenBabel.
- Can export pictures in PNG, Windows bitmap (*.bmp), Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG).
- Can generate 3-D structures with the help of the external program BUILD3D.
- Online help, including tool tips.
- 13C-NMR prediction, based on Bremser W, Mag. Res. Chem.23(4):271-275
- 1H-NMR prediction, based on additive rules and functional group lookup methods, described in Pretsch, Clerc, Seibl, Simon, "Tables of Spectral Data for Structure Determination of Organic Compounds", 2ed., 1989, Springer-Verlag
- Simple IR prediction.
- Simple pKa estimation.
- Octanol-water partition coefficient estimation.
- Reaction analysis: gas-phase enthalpy change estimate, 1H NMR and 13C NMR comparison.
- Integration with OpenBabel, allowing XDrawChem to read and write over 20 different chemical file formats.
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Download (0.85MB)
Added: 2005-12-01 License: GPL (GNU General Public License) Price:
1436 downloads
RAVE 1.9.9

RAVE 1.9.9


RAVE (Retrospective Analysis and Visualization Engine) is a framework for generating complex analysis products. more>>
RAVE 1.9.9 is yet another excellent utility for everyone. RAVE stands for Retrospective Analysis and Visualization Engine which is a framework for generating complex analysis products.

RAVE caches the intermediate results of analytic tasks for later use in the same or different analyses. This improves performance by reducing duplicated effort when generating analytic results. RAVE users need to do nothing special in order to take advantage of this performance improvement.

The RAVE project provides tools to use RAVE interactively in a terminal, or to publish "live" RAVE analyses online as a network service for use in network-enabled applications.

CERT/NetSA has deployed RAVE to support analysis using the SiLK suite of flow analysis tools. They also distribute the libraries created to perform common flow analysis tasks using SiLK, such as efficiently using pipe-and-filter-based command-line tools from Python, dealing with heterogeneous data sources and efficiently retrieving time-series data.

Requirements:

  • Python 2.4 or higher
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Added: 2008-04-09 License: GPL Price: FREE
13 downloads
Lyricue 1.9.9

Lyricue 1.9.9


Lyricue is used to edit/display song lyrics on a second screen/projector for use at singing events such as church services. more>>
Lyricue 1.9.9 is yet another extremely useful tool which can be used to edit/display song lyrics on a second screen/projector for use at singing events such as church services.

You should use this tool because:

  • With Lyricue you are not restricted to setting everything up before the event as you can add, remove and change songs on the fly.
  • You can edit a song while it is up on the screen and quickly show your changes (good for when you notice a misspelling or the singers decide to change the words on you).
  • You can even type up notes directly to the screen or quickly display a bible verse at an instants notice.

Major Features:

  1. Web interface available - Precue
  2. OpenGL accelerated server using Clutter
  3. Video backgrounds
  4. Display over live video
  5. Runs in English, German, French, Dutch or Swedish
  6. Networkable (ie run interface and server on different machines)
  7. User access controls
  8. Multiple Playlists
  9. Copyright info for songs
  10. Automatic Page advance
  11. Duplicate/Delete individual pages in playlist
  12. Preferences Dialog
  13. Re-orderable playlist
  14. Playlist entries to change background
  15. Can run at configurable resolution
  16. User-specific configuration/images (or can all refer to global one)
  17. All songs kept in a database and so screens are dynamically generated, allowing you to easily change the backdrop, font etc without having to change all the songs
  18. Can automatically create screens for bible verses (KJV included since there are licensing issues with NIV)
  19. Quick searching for songs
  20. Playlist shown as collapsible tree so easy to find wanted page
  21. Can use any image as backdrop (stored in database)
  22. Can add images to playlist (stored in database)
  23. Add/Edit/Remove Songs (even while they are being displayed)
  24. Honourize a song (change 'jesus' to 'Jesus' etc)
  25. Preview a song as you enter it
  26. Drag'n'Drop playlist adding
  27. Searching by song name or the lyrics themselves
  28. Change Font/Colours of server
  29. Graphical error reporting
  30. Spellchecking

Enhancements: 9/6/2009

  • New clutter-based server (allows OpenGL accelerated transitions)
  • Major UI re-working
  • Presentation import
  • Video display
  • Webcam display
  • Work better with non-english bibles
  • Background transitions
  • Songbeamer file import
Requirements:
  • Gtk2-Perl 1.020 or later
  • MySQL 4.0.12 or later
  • Perl 5.8.0 or later
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Added: 2009-06-09 License: GPL Price: FREE
18 downloads

xdrawchem 1.9.9 related searches

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Vigyaan 1.0

Vigyaan 1.0


Vigyaan is a Linux live CD for computational biology and chemistry. more>>
Vigyaan is an electronic workbench for bioinformatics, computational biology and computational chemistry.
It has been designed to meet the needs of both beginners and experts. VigyaanCD is a live Linux CD containing all the required software to boot the computer with ready to use modeling software. VigyaanCD v0.1 is based on KNOPPIX v3.3.
At present the following ready to use software comes on VigyaanCD: Artemis, Bioperl, BLAST (NCBI-tools), ClustalX, Cn3D, EMBOSS tools, Garlic, GROMACS, Ghemical, GNU R, Gnuplot, GIMP, ImageMagick, Jmol, MPQC, NJPlot, Open Babel, Octave, PSI3, PyMOL, Rasmol, Raster3D, SMILE, TINKER, XDrawChem, Xmgr and Xfig. GNU C/C++/Fortran compilers and additional Linux tools (such as ps2pdf) are also available.
VigyaanCD also provides tools required to compile and install other applications (from source). Therefore, making testing of Linux applications possible on computers with other OS.
Enhancements:
- This release is based on KNOPPIX 3.7.
- Most software packages have been updated and new applications added.
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Download (638MB)
Added: 2005-09-07 License: Freely Distributable Price:
1509 downloads
IceWM Theme Designer 3.2

IceWM Theme Designer 3.2


The IceWM Control Panel (IceWMCP) IcePref2 Theme Designer tool allows you to easily create and modify themes for IceWM. more>>
The IceWM Control Panel (IceWMCP) IcePref2 Theme Designer tool allows you to easily create and modify themes for IceWM.
IceWM Control Panel (IceWMCP) is the first full-featured, Gtk-based control panel for IceWM. It is meant to run in IceWM, but can be used in ANY window manager as a general-purpose control panel.
IceWMCP is multi-lingual. Currently, the following languages are supported: English, Spanish, Russian, Traditional Chinese, French (partial), and Finnish (IceWMCP-IceMe only).
Developers: If you would like to use IceWMCP as the foundation for a new control panel (for a new window manager, etc.), see the developers release of IceWMCP. IceWMCP was inspired by the Qt-based application called IceCC, but includes many more tools, a more familiar Windoze Control Panel-like interface, and uses the MUCH faster Gtk user interface (Who runs a fast Window Manager like IceWM, to launch SLOW-running, memory-intensive Qt/KDE-based applications?? I sure dont).
Lets face it: IceWM and fast Gtk interfaces work well together. In addition, because IceWM Control Panel is written with a TRUE open source widget set, Gtk+, you dont have to worry about the licensing problems associated with proprietary QT-based applications. IceWM Control Panel is TRUE open source, through and through.
Version restrictions:
- Access to a Bash shell (very important)
- Python (2.2 or better), PyGtk-2 (1.9.9/2.0.0 or better)
- Gtk+ 2.0.6 or better - neither Gnome nor PyGnome is required
- (IceWMCP versions 2.5 and earlier require Gtk+1 and PyGtk-1 0.6.9)
- Your version of PyGtk should have the Gdk-Pixbuf modules on your system
- Please run ALL IceWMCP programs from a BASH shell: Using other shells such as ksh, pdksh, csh, tcsh, etc. is likely to cause problems.
- If your IceWMCP programs have trouble launching other applications, it is most likely because you are using something other than a Bash (/bin/bash) shell.
- Run the programs from Bash...period!
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Download (0.57MB)
Added: 2005-04-25 License: GPL (GNU General Public License) Price:
1661 downloads
Ice Sound Manager 0.57

Ice Sound Manager 0.57


Ice Sound Manager is a manager for sound events and sound themes for IceWM. more>>
Ice Sound Manager was designed to ease the management of sound events, sound themes, and the IceSound server in the IceWM environment under Linux/Unix. It is also intended to be an improvement upon the noble, but primitive icesndcfg.
The main improvements over icesndcfg include a support for sound event "themes", more comprehensive help, easy management and configuration of the IceSound server, a cleaner GUI interface, automatic starting of the IceSound server, and a more conservative approach to disk space usage. In addition, Ice Sound Manager includes a built-in "Setup" program which runs the first time you run Ice Sound Manager.
The application is written in Python (making it more easily ported across various platforms and architectures) and uses GTK through the PyGTK libraries. This application is available in both .tar.bz2, RPM, and static binary (for people without Python/PyGtk).
Please note that the tar.gz file does NOT need to be compiled (this is python, remember). System requirements are as follows: Python 2.2, PyGTK-2 1.9.9/2.0.0, IceWM (or IceWM-Gnome) 1.2.0 or better - with the IceSound Server executable (generally called, icesound or icesound-gnome). IceWM version 1.2.6 or better is highly recommended.
NONE of the following is required: Gnome, Gnome libs, or PyGnome (python-gnome). This application has NOT been tested with earlier versions of Python, IceWM, PyGTK, and IceSound Server. I cant say that it wont work with earlier versions, but I certainly cant say that it will. This application has NO dependencies on Gnome. 8-)
This software is distributed under the GPL license (included in the documentation and source code): Its free and open source for all legal and NON-commerical use, copying, modification, and redistribution, provided all of the authors credits are left in-tact and unmodified. This software is distributed AS-IS, with no warranty whatsoever. Copyright (c) 2002-2004 Erica Andrews (PhrozenSmoke[at]yahoo.com). All rights reserved.
Ice Sound Manager has been designed and tested in the following environment(s): Mandrake 8.1, SuSe 8.1, Kernel 2.4.8 / 2.4.19, Glibc 2.2.4 / 2.2.5, XFree86 4.0.1 - 4.3.0, Python 2.2 - 2.2.1, PyGtk 0.6.9/PyGtk-2 2.0.0, Gtk version 1.2.8-4-1.2.10, Gtk+2 version 2.0.6, IceWM 1.0.9 - 1.2.15, IceWM-Gnome 1.0.9 / 1.2.2, with both icesound and icesound-gnome sound server executables. The test computers (3) were all Pentium 1, ranging in memory from 64MB to 256MB - nothing spectacular. It should run well on very old computers.
Requierments:
- Access to a Bash shell (very important), Python (2.2 or better), PyGtk-2 (1.9.9/2.0.0 or better), and Gtk+ 2.0.6 or better - neither Gnome nor PyGnome is required. (IceWMCP versions 2.5 and earlier require Gtk+1 and PyGtk-1 0.6.9) Repeat: IceWM requires NOTHING gnome-related.
- Also, your version of PyGtk should have the Gdk-Pixbuf modules on your system. Please run ALL IceWMCP programs from a BASH shell: Using other shells such as ksh, pdksh, csh, tcsh, etc. is likely to cause problems. If your IceWMCP programs have trouble launching other applications, it is most likely because you are using something other than a Bash (/bin/bash) shell. Run the programs from Bash...period! If you attempt to run the application and get ANY kind of error that says something like "Import Error", it means YOU do not have all the necessary Python libraries installed or do not have them installed correctly: This is NOT a bug, so do not file a bug report when you dont have the necessary software properly installed. Getting Python and PyGtk and getting them setup right is YOUR business. DO NOT ask for help installing Python, PyGtk, or GdkPixbuf. I recommend you get them from: http://speakeasy.rpmfind.net. If you are using a Python version lower than 2.2 and are too lazy to upgrade, use the "binary" distribution of IceWM Control Panel, or dont bother at all. NOTE: These requirements apply only to the standard pure-python version of IceWM Control Panel. Compiled, binary copies of IceWM Control Panel are stand-alone executables that do NOT require Python or PyGtk.
- Disk space requirements: The standard, pure-Python version of IceWM Control Panel uses approximately 1.75-2.2 MB of disk space - very small! The compiled, binary version of IceWM Control Panel uses about 3.7 MB of disk space. Yes, the binary version is large, so people too lazy or impatient to install Python and PyGtk properly and choose to use the stand-alone binary version will pay with disk space. At last check, the Hardware (or System) plug-in uses about 1.9 MB of disk space (most of it being the hardware ID data file).
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Download (0.76MB)
Added: 2005-05-10 License: GPL (GNU General Public License) Price:
1635 downloads
molsKetch Deuterium

molsKetch Deuterium


molsKetch is a molecular drawing tool. more>>
molsKetch is a molecular drawing tool.
molsKetch is a program for drawing molecular structures, in the spirit of Chemsketch and xdrawchem, for all platforms supported by Qt 4. As for now it supports drawing a basic carbon skeleton, adding hetero atoms and charge and different types of bonds. The resulting structure can be exported to all formats supported by the OpenBabel library and can also be exported as SVG or bitmap. For a full overview of the features see below.
This application is the result of a project for school (as well as my first Qt application). The goal of the project was to design a proof-of-concept tool for drawing molecular structures quick and easily, without sacrificing the quality of the resulting images. There is still much room for improvement, but it should be quite useful already. So youre free to give it a try.
Main features:
- creating regular and consistent bonds easily with tools as a dynamic grid and magnetic atoms
- open, save and import in all formats supported by the OpenBabel(tm) library
- export to Scalable Vector Graphics (SVG) and a number of common used bitmap formats
- print and export your document to PDF
- realign atoms automatically
- intelligent addition/removal of hydrogen atoms
- real time information about the molecule, like charge and weight
- built-in library for quick access to regularly used molecules and functional groups
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Download (0.14MB)
Added: 2007-04-30 License: GPL (GNU General Public License) Price:
907 downloads
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