TINKER - Software Tools for Molecular Design
Welcome to TINKER
The TINKER molecular modeling software provides a variety of
methods to perform molecular modeling, with special features for
biopolymers.
Here you will find WWW forms to help you work with some of the
applications in the package. Not all the applications do have a
WWW interface yet, and not all the functionality of the applications
featured is supported. However, you will find that for most cases,
these forms will fulfill your needs.
| You can always get access to the full power of the TINKER
package by using the command line interface |
Applications
The following TINKER applications are supported under this WWW
interface:
| Application | Description | Help | Do it! |
| ANALYZE |
Provides information about a specific molecular structure. |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |
| ANNEAL |
Molecular dynamics simulated annealing
computation. |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |
| DYNAMIC |
Molecular dynamics (MD) or stochastic dynamics
(SD) computation. |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |
| GDA |
Straub's Gaussian Density Annealing
algorithm |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |
| MINIMIZE |
Nonlinear conjugate gradient minimization |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |
| NEWTON |
Truncated Newton minimization |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |
| OPTIMIZE |
Variable metric energy minimization |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |
| PSS |
Potential smoothing and search
algorithm for a "global" optimization |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |
| SNIFFER |
Sniffer global optimization
algorithm of Butler and Slaminka |
![[Help]](images/help.gif) |
![[Do it!]](images/ToasterEmpty.gif) |