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Scientific Computing Service CNB/CSIC
[TINKER]

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:

ApplicationDescriptionHelpDo it!
ANALYZE Provides information about a specific molecular structure. [Help] [Do it!]
ANNEAL Molecular dynamics simulated annealing computation. [Help] [Do it!]
DYNAMIC Molecular dynamics (MD) or stochastic dynamics (SD) computation. [Help] [Do it!]
GDA Straub's Gaussian Density Annealing algorithm [Help] [Do it!]
MINIMIZE Nonlinear conjugate gradient minimization [Help] [Do it!]
NEWTON Truncated Newton minimization [Help] [Do it!]
OPTIMIZE Variable metric energy minimization [Help] [Do it!]
PSS Potential smoothing and search algorithm for a "global" optimization [Help] [Do it!]
SNIFFER Sniffer global optimization algorithm of Butler and Slaminka [Help] [Do it!]