On 12/02/2019 06:01, Andreas Schedlbauer wrote:
Given two nucleotides
Given those nucleotides, I rather suspect you want base pairing restraints, not
base packing restraints.
Given a nucleic acid helix going "up the page", as it were, base stacking restraints are for
vertically-related residues and base pairing restraints are for horizontally-related residues.
> EXTE STACK PLAN 1 FIRST RESIDUE 880 CHAIN A ATOMS { N3 C2 O2 C4 N4 C5 C6 N1 C1' } PLAN 2 FIRST
RESIDUE 575 CHAIN A ATOMS { N1 C6 O6 C2 N2 N3 C5 C4 N9 N7 C8 C1' } DIST 3.4 SDDI 0.2 SDAN 6.0
TYPE 1
Hmm... Where is the INS?
This works for me:
EXTE STACK PLAN 1 FIRST RESIDUE 880 INS . CHAIN A ATOMS { N3 C2 O2 C4 N4 C5 C6 N1 C1' } PLAN 2
FIRST RESIDUE 575 INS . CHAIN A ATOMS { N1 C6 O6 C2 N2 N3 C5 C4 N9 N7 C8 C1' } DIST 3.4 SDDI
0.2 SDAN 6.0 TYPE 1
But as I say, it's not typical to apply this restraint to those residues.
Paul.
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