An algorithm with linear complexity for interactive, physically-based modeling of large proteins

Integrating force feedback with a complete real-time virtual environment system presents problems which are more difficult than those encountered in building simpler forcefeedback systems. In particular, lengthy computations for graphics or simulation require a decoupling of the haptic servo loop from the main application loop if high-quality forces are to be produced. We present some approaches to these problems and describe our force-feedback software library which implements these techniques and provides other benefits including haptic-textured surfaces, device independence, distributed operation and easy enhancement.

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“…The user experiences forces which are both reasonable and stable. The method is based on that used in [21] for mouse-based interaction.…”

Section: Point-to-point Springsmentioning

confidence: 99%

Adding force feedback to graphics systems

Mark

Randolph

Finch

et al. 1996

Proceedings of the 23rd Annual Conference on Computer Graphics and Interactive Techniques

201

105

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“…A survey of deformable modeling in computer graphics can be found in Gibson and Mirtich (1997). The use of physical simulation and related optimization techniques as a means of geometric interaction has been applied to animation (Terzopoulos, Witkin, and Kass 1987), drawing (Thingvold and Cohen 1990), free-form surface and volume modeling (Celniker and Gossard 1991), mechanical design (Witkin and Welch 1990), and interactive molecular simulation (Surles 1992). For a discussion on the dynamic simulation of nonpenetrating flexible bodies, see Baraff and Witkin (1992).…”

Section: Mechanicsmentioning

confidence: 99%

Planning Paths for Elastic Objects under Manipulation Constraints

Lamiraux

Kavraki

2001

The International Journal of Robotics Research

133

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This paper addresses the problem of planning paths for an elastic object from an initial to a final configuration in a static environment. It is assumed that the object is manipulated by two actuators and that it does not touch the obstacles in its environment at any time. The object may need to deform to achieve a collision-free path from the initial to the final configuration. Any required deformations are automatically computed by the planner according to the principles of elasticity theory from mechanics. The problem considered in this paper differs significantly from that of planning for a rigid or an articulated object. In the first part of the paper, the authors point out these differences and highlight the reasons that make planning for elastic objects an extremely difficult task. The authors then present a randomized algorithm for computing collision-free paths for elastic objects under the above-mentioned restrictions of manipulation. The paper includes a number of experimental results. The work is motivated by the need to consider the physical properties of objects while planning and has applications in industrial problems, in maintainability studies, in virtual reality environments, and in medical surgical settings.

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“…The idea of interactive deformation of a macromolecular structure, based not on rotations around specific bonds, but rather upon more global manipulations of pieces of structure, has been presented by Tuffrey (Tuffrey et al, 1991) in the program FORME and by Surles (Surles, 1992) in the SCULPT package. This latter package interactively models the van der Waals and electrostatic forces along with constrained bond lengths and angles, while the user "grabs" and "tugs" parts of the molecular structure which are permitted to readjust.…”

Section: New Modeling Approachesmentioning

confidence: 99%

Visualizing The Future of Molecular Graphics

Olson

Pique²

1998

SAR and QSAR in Environmental Research

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The field of computer graphics has played an important role in the advancement of structural molecular biology and in the development of structure-based drug design. This article will provide a brief background on the development of this technology, and then focus on the current trends and future directions in molecular graphics and how they will impact the practice of molecular modeling and design. Specific areas that will be covered include: 1) the development of surface and volume based representations of molecular properties and interactions; 2) new approaches to modeling flexible and multi-component structures, and 3) the impact of object-oriented graphics-based programming and the rapidly growing use of network based computing.

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An algorithm with linear complexity for interactive, physically-based modeling of large proteins

Cited by 11 publications

References 15 publications

Adding force feedback to graphics systems

Adding force feedback to graphics systems

Planning Paths for Elastic Objects under Manipulation Constraints

Visualizing The Future of Molecular Graphics

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