Certainly Ghemical could be interfaced to a haptic device. The code is=20= released under the GNU GPL, so you're free to develop a haptic=20 interface to PHANTOM or whatever else you wish. The restrictions of the=20= GPL come with redistribution--if you decide you want to distribute this=20= haptic-Ghemical code, it must also be distributed under the GPL. (And=20 in many cases, it's just easier to work with the main developers to=20 integrate your changes into the "official" Ghemical release.) What I discovered on the web suggested that the GHOST SDK distributed=20 with the PHANTOM would allow you to "easily" add a haptic interface to=20= Ghemical. (The "easy" is suggested by the product info. Since I don't=20 have access to a haptic device, I don't know how "easy" it really is.) -Geoff On Wednesday, July 9, 2003, at 08:45 PM, Rebecca Jacob wrote: > I came to know aboutGhemical from the web. I do a lot of molecular=20 > modeling. I have knowledge in a variety of computational methodologies=20= > such as molecular mechanics, semi-empirical procedures and ab initio=20= > methods and have worked using Gaussian 92, 94, 96, 98 and 03 programs.=20= > I am also conversant in molecular modeling using Insight II Biosym=20 > Software Packages for structural simulation as well as Molden,=20 > Molecule, Spartan, and other similar molecular modeling programs. > > Recently our group has acquired a haptic PHANTOM device. The PHANTOM=20= > device makes it possible for users to touch and manipulate virtual=20 > objects. The PHANTOM device allows users to explore application areas=20= > that require force feedback in six degrees of freedom (6DOF). This=20 > system provides force feedback in three translational degrees of=20 > freedom and three rotational degrees of freedom.=A0The PHANTOM haptic=20= > interface provides high-fidelity, 3D force-feedback, the ability to=20 > operate in an office/desktop environment and compatibility with=20 > standard PCs and SGI workstations. PHANTOM application areas include=20= > medical and surgical simulation, design, engineering, geophysics and=20= > nanomanipulation. We have this PHANTOM haptic device and we plan to=20 > extend the application of this to molecular modeling. > > CanGhemical be used for this? You mention that Ghemical is a molecular=20= > modelling software package with=A0 some nice 3D-visualization tools. = The=20 > phantom device comes with the 3D-visualization package. > > Rebecca > > =A0 > > =A0 > > Ghemical > > Ghemical is a molecular modelling software package with GNOME and GLUT=20= > GUI front-ends and some nice 3D-visualization tools. It supports=20 > methods based on both molecular mechanics and quantum mechanics using=20= > MOPAC7 and MPQC for QM. Algorithms for geometry optimization (for MM=20= > and QM) and molecular dynamics (for MM) are included. Ghemical is=20 > written in C++, and offers a good framework for a generic freeware=20 > molecular modelling tool. > > Ghemical uses the OELib/Babel C++ framework for import and export of a=20= > range of chemical file formats. > > As the version number indicates, Ghemical is still in development,=20 > though it is already quite usable. Feedback, suggestions or=20 > contributions are very welcome. The program is made available under=20 > the GNU GPL and is free software. > > For more information (and screenshots) of Ghemical, see the Ghemical=20= > homepage: > http://www.uku.fi/~thassine/ghemical/ and=20 > http://bioinformatics.org/ghemical/ . > > For more information on the Open Eye Scientific OELib library:=20 > http://www.eyesopen.com/oelib.html. > Geoff Hutchison > > =A0 > > *********************************************** > Dr. REBECCA JACOB, > Department of Applied Chemistry, > (Building 3) > RMIT University (City Campus), > Melbourne VIC 3001. > > Phone 03 9925 3604 / 9925 3368 > *********************************************** >