(:title Solvent Accessible Surface:)

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

http://molekel.cscs.ch/wiki/uploaded/uploads/ReferenceGuide/sas_dlg.png

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 Accessible 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.

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

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.

To generate the surface simply press the Generate button.

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

SAS generation is controlled through the Solvent Accessible Surface dialog. The generated surface is an iso-surface generated from the union of the Van Der Waals spheres whose radius is increased by the size of the solvent surface. To generate the Van der Waals surface simply use zero as the solvent radius.

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.

Update in progress

Solvent Accessible Surface

SAS generation is controlled through the SAS dialog.

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