Table 1

[xiangjun]

Here is Table 1 and the corresponding DSSR/jq command for each example item on the right column [other than "Jmol (SQL) selections"].

Table 1. DSSR-derived features and DSSR-specific selections in Jmol, using yeast phenylalanine tRNA (1ehz) as an example

Code: Javascript

1. Accessible features (16 keys)  ["pairs","multiplets","helices","stems","isoCanonPairs","coaxStacks","hairpins","bulges","iloops","junctions","kissingLoops","ssSegments","stacks","nonStack","hbonds","nts"]
2.                                // x3dna-dssr --json=ebi -i=1ehz.cif | jq -c '.paths | keys_unsorted'
3.  
4. Actual counts (1ehz)           {"pairs":34,"multiplets":4,"helices":2,"stems":4,"isoCanonPairs":1,"coaxStacks":2,"hairpins":3,"junctions":1,"kissingLoops":1,"ssSegments":1,"stacks":11,"nonStack":4,"hbonds":118,"nts":76}
5.                                // x3dna-dssr --json=ebi -i=1ehz.cif | jq -c .counts
6.                                
7. Base pair (G1–C72)             {"index":1,"nt1":"|1|A|G|1||||","nt2":"|1|A|C|72||||","bp":"G-C","name":"WC","Saenger":"19-XIX","LW":"cWW","DSSR":"cW-W"}
8.                                // x3dna-dssr --json=ebi -i=1ehz.cif | jq -c .pairs[0]
9.                                
10. Nucleotide (2MG10)             {"nt_name":"2MG","nt_id":"|1|A|2MG|10||||","is_modified":true,"chi":169.599,"puckering":"C3'-endo"}
11.                                // x3dna-dssr --json=ebi -i=1ehz.cif | jq -c '.nts[9] | {nt_name, nt_id, is_modified, chi, puckering}'
12.  
13. Jmol (SQL) selections          SELECT hairpins
14.                                SELECT within(dssr, "nts WHERE is_modified")
15.                                SELECT within(dssr, "pairs WHERE name !='WC'")
16.