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What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN http:// www.stolaf.edu/people/hansonr 20 th Biennial Conference on Chemical Education Indiana University July 28, 2008

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Page 1: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

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

http://www.stolaf.edu/people/hansonr
http://www.stolaf.edu/people/hansonr
Page 2: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading

Quality

Scripting

Objects

Structure Modification

Analysis

Page 3: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

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

Objects - Structure Modification - Analysis

Page 4: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

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

Objects - Structure Modification - Analysis

Page 5: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Hermite Level

•Sheet Smoothing

•Antialiasing

•Calculate Aromatic

•Font Scaling

•POVRAY

•Translucency

•User-Defined Color Schemes

Objects - Structure Modification - Analysis

Page 6: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Hermite Level

•Sheet Smoothing

•Antialiasing

•Calculate Aromatic

•Font Scaling

•POVRAY

•Translucency

•User-Defined Color Schemes

Objects - Structure Modification - Analysis

Page 7: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Atom Expressions

•Display/Hide

•Background Mode

•Internal Rotation

•Script Queuing

•User-Defined Functions

•Navigate Mode

Objects - Structure Modification - Analysis

Page 8: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Atom Expressions

•Display/Hide

•Background Mode

•Internal Rotation

•Script Queuing

•User-Defined Functions

•Navigate Mode

Objects - Structure Modification - Analysis

Page 9: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Atom Expressions

•Display/Hide

•Background Mode

•Internal Rotation

•Script Queuing

•User-Defined Functions

•Navigation Mode

Objects - Structure Modification - Analysis

Page 10: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

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

Page 11: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

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

Page 12: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

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

Page 13: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Delete

•RotateSelected

•TranslateSelected

•Rotate/Spin Branch

•Load Append

•Minimize

Objects - Structure Modification - Analysis

Page 14: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Delete

•RotateSelected

•TranslateSelected

•Rotate/Spin Branch

•Load Append

•Minimize

Objects - Structure Modification - Analysis

Page 15: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Delete

•RotateSelected

•TranslateSelected

•Rotate Branch

•Load Append

•Minimize

Objects - Structure Modification - Analysis

Page 16: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Data

•GetProperty

•Jmol Math

•User-Defined Variables

•Complex Measuring

•Write/Print

Objects - Structure Modification - Analysis

Page 17: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana
Page 18: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

File Reading - Quality - Scripting

•Data

•GetProperty

•Jmol Math

•User-Defined Variables

•Complex Measuring

•Write/Print

Objects - Structure Modification - Analysis

Page 19: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

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

Page 20: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

http://Jmol.ProteinExplorer.org

Page 21: What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on Chemical Education Indiana

Thank You!


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