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Faculty of Mathematics and Natural SciencesDepartment of Chemistry

Operation System

Server: Windows Server 2008

Workstations: Windows 7 Professional, 64bit

Application Software

Below you will find a list of the most important application software packages available on all CIP-Pool computers. Help & advice regarding the individual programs you will also find on this webpage, but for the moment it is only available in german

Office Software



The office package from Microsoft contains the following programs:

  • Word (wordprocessor)
  • Excel (spreatsheet)
  • PowerPoint (presentation)
  • Outlook (e-mail client)
  • Access (database management)

LibreOffice is, for the moment, the most actively developed free and open source office suite, a project of The Document Foundation. It was forked from OpenOffice.org in 2010, which was an open-sourced version of the earlier StarOffice. The LibreOffice suite comprises programs for word processing, the creation and editing of spreadsheets, slideshows, diagrams and drawings

It contains the following programs

  • Writer (wordprocessor)
  • Calc (spreatsheet)
  • Impress (presentation)
  • Draw (drawing)


Apache OpenOffice (AOO) is an open-source office productivity software suite. It is one of the successor projects of OpenOffice.org and integrates features and improvements from IBM Lotus Symphony. Apache OpenOffice is a close cousin of LibreOffice

It contains the following programs:

  • Writer (wordprocessor)
  • Calc (spreatsheet)
  • Impress (presentation)
  • Draw (drawing)
  • Base (database management)


LaTeX is a high-quality typesetting system; it includes features designed for the production of technical and scientific documentation. LaTeX is the de facto standard for the communication and publication of scientific documents.



Chemistry Applications



                         ChemOffice            

ChemOffice is a software suite consisting of Chem3D, ChemDraw, and ChemFinder for structure drawing, 3D modeling and visualisation

Available at first only up to February 2018

The suite is also available for our students for private use under the following download:

http://sitelicense.cambridgesoft.com/sitelicense.cfm?sid=2337

Please note that you will need your Uni Email/Smail address for downloading.
After downloading a SN Nummer will be mailed to you, which you will need during the installation.
The activation should take place over the internet. If you have any questions, please don't hesitate to contact me:
Birgitt Börsch-Pulm; Email: bbp[at]uni-koeln.de


is a software for scientific data analysis and presentation.
The Department of Chemistry owns a site license of the package.



is a molecular and crystal structure visualization software




is a comprehensive Software Package to process und analyze NMR data developed by Bruker for their NMR spectrometers .




Also a Software package to process und analyze NMR data, developed by Mestrelab.
The CIP Pool owns a single license installed on PC#4.



Is a Freeware tool to process 1D and 2D NMR data.


Gaussian is an electronic structure program. Starting from the fundamental laws of quantum mechanics, Gaussian predicts the energies, molecular structures, vibrational frequencies and molecular properties of molecules and reactions in a wide variety of chemical environments. Gaussian models can be applied to both stable species and compounds which are difficult or impossible to observe experimentally (e.g., short-lived intermediates and transition structures).



The Schrodinger Suite is a comprehensive Program Package for chemical simulation for use in pharmaceutical, biotechnology, and materials science research. You can use it for general molecular modeling up to chemical simulation and drug design, including ligand- and structure-based methods developed by Schrodinger.



Chemical Editors


Accelrys is a free tool for drawing chemical formulas. The former name was ISIS/Draw.


Math Applications


Mthematica offers a wide range of mathematical algorithms to solve mathematical problems. It can be used for any kind of calculation and simulation.





With MathLab you can solve mathematical problems and plot the results.




The CAS (Computer Algebra System) Maple is a software for numerical calculations and analysis. The RRZK (Regional Computing Centre Cologne) owns a campuslicense




Databases


The reaxys database replaces Crossfire. It contains the complete information of Beilstein Crossfire, Gmelin and Patent Chemistry and offers some research tools.
URL: www.reaxys.com
                  Please use the Mozilla Firefox


Web of Science (WoS) is an online subscription-based scientific citation indexing service maintained by Thomson Reuters that provides a comprehensive citation search. It gives access to multiple databases that reference cross-disciplinary research, which allows for in-depth exploration of specialized sub-fields.

URL: http://webofknowledge.com/WOS


SciFinder® is a research discovery application that provides unlimited access to the world's most comprehensive and authoritative source of references, substances and reactions in chemistry and related sciences.

SciFinder offers a one-stop shop experience with flexible search and discover options based on user input and workflow. You can search for substances, reactions, and patent and journal references anytime, anywhere.

URL: https://scifinder.cas.org

you have to register first; see: (how to).


Bibliography

is a bibliography management program, with which you can manage any kind of literature like arcticles, books or projects. EndNote is fully integrates with Microsoft Word.



X-terminal emulator


Xming emulates an X-Terminal for a remote Linux system


Image Processing Program


In order to use scarce resources effectively we had to go without a professional image processing program in 2013.
Instead we installed gimp, a free program out of the gnu family


Photoshop is a professional image processing program
In 2015 we could buy a single user license, installed on PC#5



Desktop-Publishing


Adobe InDesign is a professional desktop publishing program(DTP).
A single user license could be installed in 2015 on PC#5