Guest Presentations
Molecular Graphics Tutorials
Guest speaker
Guest speaker: Dr. Kenneth Satyshur
Profiles:
Background
Sybyl is a general molecular modeling program that consists of a number of computational chemistry modules to describe and predict molecular behaviour. by Tripos, now a subsidiary of Certara, Inc.. The program suite SYBYL The Basic module performs the task of reading or sketching structures and initiating minimisations. It is menu-driven, giving access to over 200 fragments, and offers minimisation at different levels of sophistication. The Advanced Computation module performs conformational analysis, comparison, volume and map calculations, etc. The Biopolymer module offers a smooth and intuitive guide for protein and nucleic acid modelling problems. Composer provides the user with tools for knowledge-based homology modelling of protein structures. The QSAR/CoMFA module comprises advanced tools for generating and manipulating tables, the so-called Molecular Spreadsheets, and comparing molecules based on their steric and electrostatic fields. From
Tutorial(s)
TUTORIAL 1 – Sybyl: Live demonstration
External link resource(s):
- An Introduction to the SYBYL Molecular Modeling Package – [Archived]
- Kansas University Molecular Graphics and Modeling Laboratory: Introduction to SYBYL – [Archived]
- SYBYL Tutorials [Archived] at the “Students Access Molecular Structures And Modeling (SAMSAM [Archived])” in the Netherlands [EDIT: original links are defunct.]
REFERENCES:
- S. Pérez, C. Meyer, A. Imberty. “Practical tools for accurate modeling of complex carbohydrates and their interactions with proteins” A. Pullman, J. Jortner, B. Pullman (Eds.), Modelling of Biomolecular Structures and Mechanisms, Kluwer Academic Publishers, Dordrecht (1996), pp. 425-454. Google Scholar. PDF