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tinker-ffe's Introduction

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, NCBI and PDB databases. The Tinker-FFE package runs on Linux, Macintosh 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, Macintosh 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. The developers thank ej-technologies for providing install4j for use in building our Tinker-FFE installation kits. You can check out install4j by clicking on the link below:

install4j-large Multi-Platform Java Installer Builder [LINK]

Other requirements include a Java 8 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. Additional information is available from https://dasher.wustl.edu/tinker/.

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tinker-ffe's Issues

Unable to start Tinker-FFE

Hello,
I installed Tinker and Tinker-FFE but failed to start Tinker-FFE
The output of terminal is captured as below:

com.jogamp.opengl.GLException: Not a GL2 implementation`
	at jogamp.opengl.es1.GLES1Impl.getGL2(GLES1Impl.java:4929)`
	at org.jogamp.java3d.JoglPipeline.createNewContext(JoglPipeline.java:6432)
	at org.jogamp.java3d.Canvas3D.createNewContext(Canvas3D.java:4602)
	at org.jogamp.java3d.Canvas3D.createNewContext(Canvas3D.java:2376)
	at org.jogamp.java3d.Renderer.doWork(Renderer.java:881)
	at org.jogamp.java3d.J3dThread.run(J3dThread.java:271)
DefaultRenderingErrorListener.errorOccurred:
CONTEXT_CREATION_ERROR: Renderer: Error creating Canvas3D graphics context
graphicsDevice = X11GraphicsDevice[screen=0]
canvas = 3D Graphics
EGLDisplayUtil.EGLDisplays: Shutdown (open: 1)
EGLDisplayUtil: Open EGL Display Connections: 1
EGLDisplayUtil: Open[0]: 0x7f981001fd30: EGLDisplayRef[0x7f981001fd30: refCnt 1]
X11Util.Display: Shutdown (JVM shutdown: true, open (no close attempt): 1/1, reusable (open, marked uncloseable): 0, pending (open in creation order): 1)
X11Util: Open X11 Display Connections: 1
X11Util: Open[0]: NamedX11Display[:0.0, 0x7f9810038390, refCount 1, unCloseable false]

This is probably related to OpenGL but I have no idea how to fix this.

Tinker FFE may not support Mac OS Ventura

I started the FFE and the Tinker Graph appeared, and then menu was on the top. But I click any terms on the top menu( such as File, Selection, even include the apple icon),there are no response.

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