(:title Solvent Excluded Surface:)

http://molekel.cscs.ch/wiki/uploaded/ReferenceGuide/ses_dlg.png

Use the Solvent Excluded Surface dialog to generate Connolly surfaces. The surfaces can be generated with an internal algorithm which generates a point-cloud approximation or with the external msms program by M.F. Sanner.

Note: using a radius of 0.0 doesn't seem to work, use 0.001 instead if 0.0 does not produce the Van der Waals surface.

Molekel 5.1 or newer support mapping of electrostatic potential read from Gaussian .cube grid data; in case you load a molecule from .cube files you'll have the option to color-code Solvent Excluded Surfaces with values read from grid data, in this case a Map MEP(From Grid Data) label will appear close to the map MEP checkbox.

Note: using a radius of 0.0 doesn't seem to work, use 0.001 instead if 0.0 does not produce the Van der Waals surface.

Use the Solvent Excluded Surface dialog to generate Connolly surfaces. The surfaces can be generated with an internal algorithm wich approximates of the dot surface or with the external msms program by M.F. Sanner.

Note: using a radius of 0.0 doesn't seem to work, use 0.00001 instead if 0.0 does not produce the Van der Waals surface.

Note: using a radius of 0.0 doensn't seem to work, use 0.00001 instead if 0.0 does not produce the Van der Waals surface.

Use the Solvent Excluded Surface dialog to generate Connolly surfaces. The surfaces can be generated with an internal algorithm wich approximates of the dot surface with points only or with the external msms program by M.F. Sanner.

To remove the surface press on the Remove button which is enabled only after the surface has been generated.

Van der Waals surface can be generated by choosing a radius of zero.

Note: using a radius of 0.0 doensn't seem to work, use 0.00001 instead if 0.0 does not produce the Van der Waals surface.

Use the Solvent Excluded Surface dialog to generate Connolly surfaces. The surfaces can be generated with an internal (Molecular Inventor) algorithm wich is an approximation of the dot surface or with the msms program by M.F. Sanner

http://bioinformatics.org/molekel/uploads/ReferenceGuide/ses_dlg.png

Update in progress

Solvent Excluded Surface

Use the Solvent Excluded Surface dialog to generate Connolly surfaces. The surfaces can be generated an internal (Molecular Inventor) algorithm wich is an approximation of

http://bioinformatics.org/molekel/uploads/ReferenceGuide/sas_dlg.png

To generate the surface simply press on the Generate button.

To remove the surface press on the Remove button which is enabled only after the surface has been generated.