Main Page: Difference between revisions

Revision as of 17:07, 29 January 2016

MediaWiki has been successfully installed.

Consult the User's Guide for information on using the wiki software.

Getting started

Welcome to the Wiki pages of Nanomodeling and theoretical chemistry group at UiB!

Feel free to write on any subject of relevance to the group, be it on programs, methods, techniques, equipment, computers, various tips & tricks, and so forth.

More on the policy of these pages.

A sketch of the subjects for which pages will/should be created:

Chemical programs, scripts, methods, and projects:

Automation tools
Standard States
DFT-D2
DFT-D3
DENOPTIM
Gamess-US
Gaussian
MOE/DOMMIMOE
MOPAC
NWCHEM
PCModel
Phenylalanine Hydroxylase - simulation results and scripts
PRIRODA
SHRINK
Tinker
WebMO - web-interface for running calculations

Computational facilities:

Databases:

Cambridge Structural Database - crystal structures of over 750 k organic and metallorganic small molecules

Citation tools and other non-chemical scripts and programs:

EndNote - citation tool for Windows/Mac
MATLAB - matrix calculations, plotting, etc.
Python - programming language
Tips/tricks on Wikipages

Laboratory usage and other information:

nkjvj (talk) 17:53, 29 January 2016 (CET)

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 * [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]
-<big>[Welcome to the Wiki pages of Nanomodeling and theoretical chemistry group at UiB!]</big>
+<big>[[Welcome to the Wiki pages of Nanomodeling and theoretical chemistry group at UiB!]]</big>
 Feel free to write on any subject of relevance to the group, be it on programs, methods, techniques, equipment, computers, various tips & tricks, and so forth.