[Jmol-users] How to specific paired atoms in "compare" script

[jiayi.zhou <jia...@mu...>]

According to http://chemapps.stolaf.edu/jmol/docs/index.htm?ver=14.0#compare
,

compare {model1} {model2} SUBSET {atomSet} ATOMS [paired atom list]

should work.

Let's say we have 4 atoms in one structure and 6 in the other. I want
No.1 atom in structure 1 match to No.2 atom in structure 2.
No.2 atom in structure 1 match to No.3 atom in structure 2
No.3 atom in structure 1 match to No.4 atom in structure 2.
No.4 atom in structure 1 match to No.1 atom in structure 2.

I tried
"compare {1.1} {2.1} SUBSET {*} ATOMS {1-4} {2,3,4,1} rotate translate 2"
"compare {1.1} {2.1} SUBSET {*} ATOMS {1,2,3,4} {2,3,4,1} rotate translate
2"
"compare {1.1} {2.1} SUBSET {*} ATOMS [1 2 3 4] [2 3 4 1] rotate translate
2"
All are invalid argument.

Could you please tell me the format of [paired atom list]?

Thank you.
-- 
Aiden/Jiayi Zhou

Office Tel: 709-864-4891
Master Candidate
Dept. of Computer Science
Memorial University of Newfoundland
St. John's, NL, Canada, A1B 3X5

P I*f you decide to print this...*

*         then you'll need to find a place to file it...!*