Chemical Structures 2.1 (Default branch)

Tags

Special Forums News, Links, Events and Announcements Software Releases - RSS News Chemical Structures 2.1 (Default branch)

02-05-2008

Registered User

26,240, 27

Join Date: Sep 2000

Last Activity: 1 August 2008, 3:09 PM EDT

Posts: 26,240

Thanks Given: 0

Thanked 27 Times in 26 Posts

Chemical Structures 2.1 (Default branch)

The Chemical Structures project aims to provide a complete set of 3D molecular structures in CML format. As CML format permits structural data and many properties to be included, each file also contains additional information, like molecular weight, boiling point, melting point, or InChI code. Data can be explored with a CML-aware software, like Jmol, or by using a Web browser. License: BSD License (revised) Changes:
The HTML pages have a new style and contain MicroFormat data. Many French translations have been added and Spanish translations are also available. New structures (like carbohydrates) have been added. The project now includes 559 structures.

More...

Linux Bot

View Public Profile for Linux Bot

Find all posts by Linux Bot

Previous Thread | Next Thread

3 More Discussions You Might Find Interesting

1. Linux

about system structures

hello can any1 plz tell me about the system defined structures (like sysinfo) which wil give system and n/w charecteristics (ex: freeram in sysinfo).

2. Programming

Programming using Structures

Hi All, I was given a format of a file, and was asked to write a program which displays the data contained in the file in that purticular format. Its all so confusing. Please find the example of the format as well the code I have written in the attachment. I hope any one of u guyz can...

3. Programming

pointer to structures

Dear friends I have a bit basic doubts in pointers and the structures inter relationships. the first one. static struct apvt { int dead; int pending; int abouttograb; }*agents=NULL; what agents pointer is...

LEARN ABOUT DEBIAN

aduncore

ADUNCORE(1)						      General Commands Manual						       ADUNCORE(1)

NAME

       AdunCore - core module of the Adun molecular simulator

SYNOPSIS

       AdunCore [OPTIONS]

DESCRIPTION

       This manual page documents briefly the AdunCore command.

       AdunCore  is  the  core	module	of  the  Adun  molecular simulator.  It is launched automatically from the UL GUI but can be used from the
       GNU/Linux console as well.  Options to AdunCore must be specified as value pairs in the form `-Option Value'.  The  following  options  are
       available:

       -Template
	      A valid Adun template.  This is the only option that is mandatory.

       -ExternalObjects
	      A  dictionary  in  plist format.	Its contents extend the externalObjects section of the template.  If there are duplicate keys this
	      dictionary takes precedence.

       -SimulationOutputDir
	      Directory where simulation data directory will be stored.  (Default value: SimulationOutput)

       -ControllerOutputDir
	      Directory where controller data will be stored.  (Default value: ControllerOutput)

       -CreateLogFiles
	      If YES log files are created.  If NO they are not.  (Default value: YES)

       -LogFile
	      File where the program output will be written.  (Default value: AdunCore.log)

       -ErrorFile
	      File where program errors and warnings will be written.  (Default value: AdunCore.errors)

       -RedirectOutput
	      If YES the log files will be moved to the simulation output directory. (Default value: YES)

       -RunInteractive
	      If YES the simulation loop is spawned as a separate thread.  The main thread then enters a run loop and can serve external requests.
	      If NO then interaction is not possible with the simulation.  (Default value: NO)

       -ConnectToAdServer
	      If  YES the simulation registers its existance with a local AdServer daemon.  This allows the simulation to be viewed and controlled
	      from the Adun GUI.  (Default value: NO)

SEE ALSO

       UL(1), AdunServer(1), GNUstep(7).

AUTHOR

       AdunServer was written by Michael A. Johnston, I. F. Galvn, Jordi Vill-Freixa, Alexander V. Diemand.

       This manual page was written by Yavor Doganov <yavor@gnu.org> for the Debian project (but may be used by others).

								 January 19, 2008						       ADUNCORE(1)

Software Releases - RSS News