 | |
| | | Command | | Argument |
| Datatype | | Default | | Min | | Max |
| | | Format: | | Compare<Atom|Res> | | Selection
1, | | SELECTION |
| - |
| - | | - | |
| | | | | Selection
2 | | SELECTION | | - | | - | | - | |
| | Python: | | Compare<Atom|Res>(selection1,selection2) |
| | | Menu: | | Analyze > Compare | | |
| Related: |
| RMSD
, Sup | | | | Required: |
|  |
| |
The Compare
command matches the two selections and lists any differences found, i.e. atoms or residues present in only one of the two selections. This command is especially helpful to locate unexpected differences in atoms or residues that may lead to errors during
superpositions or RMSD
calculations.
Example 1:
CompareRes Protein Obj 1,Protein Obj 3
Compare the protein residues in objects 1 and 3, listing any differences.
Example 2:
CompareAtom Res His Obj 1,Res His Obj 2
Compare the atoms in the histidine residues of objects 1 and
2. If hydrogens are present, this will list differences in protonation states.
| 
