Solvent Accesible Surface Area

Description

This function calculates the area and the Solvent Accessible Surface Area (SASA) for a group of molecules. Up to four different groups of molecules can be selected separatedly. If the name of the group is ‘none’, the group will not be considered for the calculation. At least one group must be defined. When more than one group is defined, the algorithm also calculates the SASA for the group composed by all the atoms selected in the single groups (“SASA of the atoms' sum”) and the “contact surface”, defined as the sum of all the SASA of the single groups minus the “SASA of the atoms' sum”.

Latest version

Allowed number of parents: 1

Parameter Description Value type Value restrictions Default value Units

Group name

Name of the group of molecules

string

N/A

none

N/A

Component name

Component names of the group

selector

component types, "all"

"all"

N/A

Residue name

Residue names of the group

selector

residue types, "all"

"all"

N/A

Atom type

Atom types of the group

selector

atom types, "all"

"all"

N/A

Atom names

Atom names of the group

selector

atom names, "all"

"all"

N/A