Main Page: Difference between revisions

Revision as of 17:05, 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)

@@ Line 8: / Line 8: @@
 * [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.