Chemistry …

Editing

Chemistry Toolkit Rosetta Wiki

2
  • The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then save the changes below to finish undoing the edit. If you are undoing an edit that is …
  • Learn more about editing the main page.
Latest revision Your text
Line 1: Line 1:
  +
[[File:Placeholder|thumb|300px]]
 
===<center>Welcome to Chemistry Toolkit Rosetta Wiki</center>===
 
===<center>Welcome to Chemistry Toolkit Rosetta Wiki</center>===
 
The Chemistry Toolkit Rosetta is a wiki for sharing how to use different chemistry toolkits for the same set of common tasks. The main focus is on chemical informatics, with toolkits that handle molecular structures, depiction, databases, property analysis, nomenclature, and the like. This includes 3D structure visualization especially as applied to docking and small molecule conformation generation, but the visualization should support bond types. In the future we may add other chemistry tasks, like MMFF energy evaluation, molecular dynamics, spectra analysis, x-ray crystallography, quantum mechanics and more, but don't hold your breath unless you want to help define and evaluate the tasks!
 
The Chemistry Toolkit Rosetta is a wiki for sharing how to use different chemistry toolkits for the same set of common tasks. The main focus is on chemical informatics, with toolkits that handle molecular structures, depiction, databases, property analysis, nomenclature, and the like. This includes 3D structure visualization especially as applied to docking and small molecule conformation generation, but the visualization should support bond types. In the future we may add other chemistry tasks, like MMFF energy evaluation, molecular dynamics, spectra analysis, x-ray crystallography, quantum mechanics and more, but don't hold your breath unless you want to help define and evaluate the tasks!
  Loading editor
Below are some commonly used wiki markup codes. Simply click on what you want to use and it will appear in the edit box above.

View this template