Free crc chemicals software for linux

kfile_chemical is a set of kfile plugins for chemistry documents. It has support for XYZ, PDB, MDL mol/sd, Mol2, CML, ShelX, SMILES and CIF files.
kfile_chemical is currently in alpha stage: 1.0 will be alpha too; it will be feature complete, i.e. proving plugins kfile plugins for all files mentioned at the official chemical mime page (and a few more).
Version 2.0 will be beta, and feature a more organized set of extracted pieces of information.
Version 3.0 will be beta too, and mime magic, which is a method to detect the mime type not from the file extension, but from the content.
Verion 4.0 will be the first stable release and is aimed to be ready with Kubuntu 6.04 and KDE 4.0.
Enhancements:
- This release adds support for chemical-mime-data, thus synchronizing with the main MIME type library for chemical data.
- It also fixes QChar / QString conversion, the FSF address, and the contact email address.

Chemsuite is a set of programs designed for the processing of chemical information on Linux/X11. It is free software and released under GPL.
It requires the QT GUI library version 2.3.1 from Trolltech Inc. . It intends to run primary on Linux, but we think it can compile and run on othe Unices.
Chemsuite is composed by several program:
- Chem2D: A 2D molecular drawer.
- Molcalc: A molecular weight calculator
- ChemModel3D: Molecular 3D modeler
- ChemIR: An infrared spectra processor. It can read, process, export and print Perkin Elmer spectra.
- ChemNMR: 1D NMR Processor
- ChemMC: Monte carlo Simulator and Integrator
Enhancements:
- chem2d new engine
- chemIR print spectra bug corrected
- Supports GNU configure utility

Chemtool project is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Chemtool relies on transfig by Brian Smith for postscript printing and exporting files in PicTeX and EPS formats. Its companion program, XFig, is recommended for enhancing the output of chemtool, and for creation of 2D diagrams and schematics in general.
Both are included with most distributions of Linux, and are available through a number of websites including www.xfig.org. If you want to import chemtool drawings into word processing programs other than LaTeX, you will probably want to add a preview bitmap to them, as neither StarOffice/OpenOffice nor that software from Redmond seem to be able to display postscript inserts on screen without them.
For this purpose, using either ps2epsi, which comes with ghostscript, or epstool, a part of gsview is recommended. Since chemtool-1.6, this option is supported directly (through the equivalent function offered by recent versions of transfig).
Chemtool was originally written by Thomas Volk, then a student of chemistry and biology at the university of Ulm, Germany. His version, which was described in an article in the german periodical LinuxMagazin, was using plain X11.
The bond types available in chemtool are:
- a single bond
- a double bond (with one line shorter than the other)
- a double bond (having the shorter line on the opposite side)
- a centered double bond
- a triple bond (with the flanking lines shorter than the center)
- a wedge-shaped bond
- a dashed wedge-shaped bond
- a wavy line
- a dashed wide line
- a half arrow
- an arrow
- a wide bond
- a circle
- a dotted line
- a single bond that cuts out a segment from any bond it crosses
- a triple bond (with equal line lengths)
- a quadruple bond
Enhancements:
- PNG export, kprinter support, and a few new template structures were added.
- Screen rendering of complex labels was improved.
- Several problems with text input in UTF8-enabled locales were fixed.
- Arrowhead size in EPS output and the appearance of arrowheads, superscripts, and national characters in SVG output were fixed.

The Romalizer project is a Tcl script to analyze your MAME roms and report errors.
The ROMalizer is a Tcl script that examines your .zip files for MAME ROMs and lets you know if you have any extra data in them. It can also report incorrect filenames, CRCs, etc.
Enhancements:
- romalizer will no longer move the zipfiles it has fixed into your roms directory unless you specify the -M option. This will allow you to run romalizer as a normal user on a roms filesystem that is only writable by root or some other games administrator. If you use the -M option, romalzier will back up your old roms into the working directory as usual, if the -M option is not used, the new (fixed) roms will be located in the working directory.
- romalizer now fully supports two new styles of merging your roms. You may now use the -g or -G options to tell romalizer to use one of these new merging formats. When -g is used, romalizer will merge all clones into a single zip file. When -G is used, romalizer will create clone zip files that are capable of being run independantly of the parent romset. I have tested these new merging features on my pacman romset and it works beautifully, however more testing probably needs to be done on a complete romset for these options.
- neogeo games are now supported, romalizer will just ignore any CRC that matches 354029fc (ng-sfix.rom), 9036d879 (neo-geo.rom), and 97cf998b (ng-sm1.rom). Thus neogeo roms are now fully supported except for these 3 which should be placed in a file called neogeo.zip.
- romalizer requires usage of UnZip version 5.41 or higher due to a Y2K bug in UnZip. This patch will now check your unzip version and abort if you do not have a recent version of UnZip.

Kemistry is a collection of chemical applications for the K Desktop Environment (release 3.x).

Originally the applications were distributed in a single source package, but currently every application is distributed in a standalone package. The available applications are

* KMolCalc - molecular weight and elemental composition calculator
* KemBabel - a file conversion program based on Open Babel

AdvanceSCAN project is a commandline ROM manager for emulators.
AdvanceSCAN is a command line ROM manager for MAME, MESS, AdvanceMAME, AdvanceMESS, and Raine for Unix, DOS, and Windows.
Main features:
- Directly read, write zip archives without decompressing and recompressing them for the best performance.
- Add, copy, move and rename files in the zip archives. Any rom that you have is placed automatically in the correct zip.
- Recognize the text files added by rom sites and delete them.
- Recognize the text files added by the rom dumpers and keep or delete them.
- Its safe. On all the zip operations any file removed or overwritten is saved in the `rom_unknown `sample_unknown directories and kept for future uses. This will prevent any unwanted remove operation.
- Generate differential rom sets.
Enhancements:
- New rom zips are now created only if at least one unique rom is found. Roms shared with other games dont trigger the zip creation. For example, galaga88
- and pacmania share the rom ns1-mcu.bin. This functionality prevents the creation of the galaga88 zip from a correct copy of pacmania using only the
- ns1-mcu.bin file.
- Relaxed a consistency check for the local header in zip files. The crc and size entries are allowed to contain the real value also if a data descriptor is present.

IPC is a program that calculates the isotopic distribution of a given chemical formula. It gives the rel. intensities and the propability of the masses belonging to a molecule ion, fragment or whatever is represented by the given chemical formula.
Furthernmore it can use GNUPlot to visualize the result. Only masses with a rel. Intensity bigger then 0.009% are shown. Additionaly ipc prints the overall number of peaks and the needed computation time.
The program uses an algorithm which computes the exact isotopic distribution. This leads to a large number of peaks which have very low rel. abundances. Even for a small molecule as Acetylsalicylic acid ( C9H8O4, Mr=180.15) there are 1350 peaks but only nine of them have a rel. abundance higher then 0.01%.
Enhancements:
- A complete list of elements and isotopes is now used.
- The list of elements is taken from the NIST.

3D Spatialization of Sound is a Linux/X11 port of the 3D spatializer library from the CRC.

This program creates "directional" stereo sound from mono source. CRC folks told me I shouldnt have raised the sampling frequency without adjusting other stuff.

Oh well. This was a proof-of-concept type project anyway. I think to get correct 3D effect, you need to drop sampling rate back to 11025.

To Build the X11 implementation:

1. make
2. cp audio-filter /usr/local/bin
3. mpg123 -m -s some_music.mp3 | audio-filter | aplay -S -s 44100 -f s16l -

audio-filter is implemented as a filter, it reads signed 16 bit mono input at 44100 khz from stdin, and outputs signed 16 bit stereo, 44100 khz output to stdout. You can replace mpg123 with any sound source generating signed 16 bit 44100 khz mono signal. "aplay" is a sound player utility which comes with ALSA linux sound driver. You can use "play" from the sox package, or "ampctl", or any other sound player that would read 44100 khz, signed 16 bit stereo raw data from stdin. For "sox" play script, you would replace "aplay" command line with "play -c 2 -f s -r 44100 -s w -t raw -"

If everything is good, a 640x480 window will come up, with some cryptic writing on the top, a filled circle with an arrow pointing right, and a empty circle slightly to the right of the circle with arrow.

NOTE, that just like in the original Windows implementation, the axiss are reversed. The arrow on the "head" is pointing "forward". So, in the default startup configuration, the sound is located in front of the listener. Moving the sound source "up" moves it to the left of the listener, and "down", to the right. You can visualize this well if you turn your monitor 90 degrees counter
clock wise.

The filled circle with an arrow is your "head"
The empty circle is the "sound source"

You can move the "sound source" around by clicking the mouse at any position in the window, or by clicking on the "sound source" circle, and dragging it to the desired position. Soundfield will be dynamically updated as you do this.

You can move the "head" by moving the mouse to desired position, and right-clicking. The "head" icon will move to the new position and soundfield will be updated.