CV:OPOS2: Difference between revisions

CV:OPOS2 (view source)

5 bytes removed , 21 July 2021

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 | atoms specifying the point '''A'''
 |-  style="vertical-align: top;"
-| '''z_direction'''
+| '''reference_a'''
+| string
+|
+| name of the file with the reference structure in the XYZ format, the structure must have the same number of atoms as the group '''group_a'''
+|-
+| '''group_b'''
 | [[Mask format|mask]]
 |
-| single atom specifying the end of approximate z-direction vector of the re-oriented coordinate system. The vector origin is in '''A'''<sub>com</sub>. The atom must be member of the group '''A'''.
+| atoms specifying the point '''B'''
 |-
 | '''direction'''
 | x, y, z
 |
-| determine direction of z-axis in the re-oriented coordinate system
+| select axis in the superimposed coordinate system
 |}
 ''Keys in bold are mandatory.''