Interactive 3D Phase Diagrams Using Jmol
نویسندگان
چکیده
منابع مشابه
Programmatic conversion of crystal structures into 3D printable files using Jmol
BACKGROUND Three-dimensional (3D) printed crystal structures are useful for chemistry teaching and research. Current manual methods of converting crystal structures into 3D printable files are time-consuming and tedious. To overcome this limitation, we developed a programmatic method that allows for facile conversion of thousands of crystal structures directly into 3D printable files. RESULTS...
متن کاملJmol SMILES and Jmol SMARTS: specifications and applications
BACKGROUND SMILES and SMARTS are two well-defined structure matching languages that have gained wide use in cheminformatics. Jmol is a widely used open-source molecular visualization and analysis tool written in Java and implemented in both Java and JavaScript. Over the past 10 years, from 2007 to 2016, work on Jmol has included the development of dialects of SMILES and SMARTS that incorporate ...
متن کاملApproximate Solutions of Interactive Dynamic Influence Diagrams Using Model Clustering
Interactive dynamic influence diagrams (I-DIDs) offer a transparent and semantically clear representation for the sequential decision-making problem over multiple time steps in the presence of other interacting agents. Solving I-DIDs exactly involves knowing the solutions of possible models of the other agents, which increase exponentially with the number of time steps. We present a method of s...
متن کاملModel identification in interactive influence diagrams using mutual information
Interactive influence diagrams (I-IDs) offer a transparent and intuitive representation for the decision-making problem in multiagent settings. They ascribe procedural models such as influence diagrams and I-IDs to model the behavior of other agents. Procedural models offer the benefit of understanding how others arrive at their behaviors. Accurate behavioral models of others facilitate optimal...
متن کاملInteractive Computation of Discrete Generalized Voronoi Diagrams using Range Culling
We present an algorithm for fast computation of discrete generalized Voronoi diagrams. Given a set of geometric primitives, and a distance metric, our algorithm efficiently computes the Voronoi diagram along a uniform grid by evaluating distance fields. We use a multipass approach and divide the computation into intervals along each dimension. We present an efficient culling algorithm to reduce...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Chemical Education
سال: 2009
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed086p566