Back to results
US 6,582,233 B1Granted
Apparatus and method for monitoring the validity of a molecular model
AssigneeAccelrys Inc.
InventorJohn D. Clark
Life of this patent
Estimating the term…
Abstract
A computer implemented molecular modeler displays information concerning structural validity to the user. The display of information may be updated substantially continuously while the user modifies the molecular model. The display of information may comprise a color coded indicator and/or text associated with the atoms of the molecular model.
Claims8
A method of modifying a computer implemented molecular model comprising:
- displaying a molecular model comprising a set of bonded atoms;
- calculating a validity attribute for every atom of said set;
- displaying each validity attribute;
- adding an atom to said set of bonded atoms or altering a bond associated with at least one atom in said molecular model;
- substantially simultaneously with said adding or altering, updating each of said validity attributes and displaying each of said updated validity attributes along with the modified display of said set of bonded atoms;
- and
- performing additional molecular modifications and substantially simultaneous updates and display of said validity attributes so as to provide substantially constant feedback to a user regarding the physical validity of the molecular model.
4 more elements
A molecular modeling apparatus comprising:
- a input device for accepting user commands to modify a molecular model;
- means for displaying a multi-dimensional representation of said molecular model;
- and
- means for displaying information indicative of physical invalidity of said molecular model in a substantially continuous fashion as a user modifies said molecular model such that modification of a first atom of said molecular model affects displayed physical invalidity information associated with a second atom of said molecular model.
1 more element
Dependencies are inferred from the claim text.