Skip to content

Navigation Menu

Sign in
Appearance settings

Search code, repositories, users, issues, pull requests...

Provide feedback

We read every piece of feedback, and take your input very seriously.

Saved searches

Use saved searches to filter your results more quickly

Sign up
Appearance settings

TinkerTools/tinker-ffe

Folders and files

NameName
Last commit message
Last commit date

Latest commit

History

44 Commits

Repository files navigation

Tinker-FFE: Molecular Engineering GUI for Tinker

Introduction

The Tinker-FFE ("Force Field Explorer") software is a Java-based GUI for molecular design and engineering, originally written by Prof. Michael J. Schnieders, now in the Department of Biomedical Engineering at the University of Iowa. In addition to a variety of general molecular modeling and visualization capabilities, Tinker-FFE enables launch and control of Tinker calculations from an easy-to-use graphical interface. Molecular and biomolecular structures can be downloaded from the PubChem, NCI and PDB databases. The Tinker-FFE package runs on Linux, macOS and Windows systems.

Installation Kits

Pre-built installation kits for the Tinker-FFE package can be found at https://dasher.wustl.edu/tinker/, and are available for Linux, macOS and Windows computers. Tinker-FFE contains an embedded version of the full Tinker software package, modified to provide for socket communication between Tinker and the Tinker-FFE GUI via Java sockets. Unless you wish to develop Tinker-FFE, we recommend use of the prebuilt kits since the build process is rather involved.

Build Process

The Tinker-FFE project builds installer kits using the install4j multi-platform Java installer builder. Other requirements include a Java 11 JRE to embed with the installer, ant, and C/C++/Fortran compilers (the GNU compiler suite is recommended). The graphics engine for FFE uses Java3D and the FFE console requires groovy; both packages are provided with this development repository. To begin the build procedure, see the 0README file in the /build directory of the repository.

AltStyle によって変換されたページ (->オリジナル) /