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

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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

Transcript of What’s New for Jmol Bob Hanson St. Olaf College, Northfield, MN 20 th Biennial Conference on...

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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