What’s New for Jmol

Bob HansonSt. Olaf College, Northfield, MN

http://www.stolaf.edu/people/hansonr

20th Biennial Conference on Chemical EducationIndiana University

July 28, 2008

File Reading

Quality

Scripting

Objects

Structure Modification

Analysis

File Reading - Quality - Scripting

•Zap•Crystallographic Symmetry•Anisotropic Temp. Factors•Trajectory•Filter•Biomolecules

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Zap•Crystallographic Symmetry•Anisotropic Temp. Factors•Trajectory•Filter•Biomolecules

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Hermite Level

•Sheet Smoothing

•Antialiasing

•Calculate Aromatic

•Font Scaling

•POVRAY

•Translucency

•User-Defined Color Schemes

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Hermite Level

•Sheet Smoothing

•Antialiasing

•Calculate Aromatic

•Font Scaling

•POVRAY

•Translucency

•User-Defined Color Schemes

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Atom Expressions

•Display/Hide

•Background Mode

•Internal Rotation

•Script Queuing

•User-Defined Functions

•Navigate Mode

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Atom Expressions

•Display/Hide

•Background Mode

•Internal Rotation

•Script Queuing

•User-Defined Functions

•Navigate Mode

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Atom Expressions

•Display/Hide

•Background Mode

•Internal Rotation

•Script Queuing

•User-Defined Functions

•Navigation Mode

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Dipole

•Draw

•2D/3D Echo

•Isosurface MEP Color Mapping

•Plane/Sphere/Ellipsoid

•FunctionXY

•Complex Polyhedra

•JVXL-Compressed Isosurfaces

•LCAO Cartoons

•Molecular Orbitals

•Ramachandran/Quaternions

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Dipole

•Draw

•2D/3D Echo

•Isosurface MEP Color Mapping

•Plane/Sphere/Ellipsoid

•FunctionXY

•Complex Polyhedra

•JVXL-Compressed Isosurfaces

•LCAO Cartoons

•Molecular Orbitals

•Ramachandran/Quaternions

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Dipole

•Draw

•2D/3D Echo

•Isosurface MEP Color Mapping

•Plane/Sphere/Ellipsoid

•FunctionXY

•Complex Polyhedra

•JVXL-Compressed Isosurfaces

•LCAO Cartoons

•Molecular Orbitals

•Ramachandran/Quaternions

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Delete

•RotateSelected

•TranslateSelected

•Rotate/Spin Branch

•Load Append

•Minimize

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Delete

•RotateSelected

•TranslateSelected

•Rotate/Spin Branch

•Load Append

•Minimize

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Delete

•RotateSelected

•TranslateSelected

•Rotate Branch

•Load Append

•Minimize

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Data

•GetProperty

•Jmol Math

•User-Defined Variables

•Complex Measuring

•Write/Print

Objects - Structure Modification - Analysis

File Reading - Quality - Scripting

•Data

•GetProperty

•Jmol Math

•User-Defined Variables

•Complex Measuring

•Write/Print

Objects - Structure Modification - Analysis

http://chemapps.stolaf.edu/quaternions/PISEMA/pisema.htm

http://Jmol.ProteinExplorer.org

Thank You!