r8167 - /branches/ave_noe/test_suite/shared_data/noe_restraints/noe_rna_hbond.dat -- December 09, 2008 - 10:39

Author: bugman
Date: Tue Dec  9 10:39:00 2008
New Revision: 8167

URL: http://svn.gna.org/viewcvs/relax?rev=8167&view=rev
Log:
Added an RNA H-bond Xplor restraint file.

This comes from http://bass.chem.yale.edu/labdocs/packages/xplor.html.


Added:
    branches/ave_noe/test_suite/shared_data/noe_restraints/noe_rna_hbond.dat

Added: 
branches/ave_noe/test_suite/shared_data/noe_restraints/noe_rna_hbond.dat
URL: 
http://svn.gna.org/viewcvs/relax/branches/ave_noe/test_suite/shared_data/noe_restraints/noe_rna_hbond.dat?rev=8167&view=auto
==============================================================================
--- branches/ave_noe/test_suite/shared_data/noe_restraints/noe_rna_hbond.dat 
(added)
+++ branches/ave_noe/test_suite/shared_data/noe_restraints/noe_rna_hbond.dat 
Tue Dec  9 10:39:00 2008
@@ -1,0 +1,25 @@
+! These are H-bond restraints for standard RNA as taken from 
http://bass.chem.yale.edu/labdocs/packages/xplor.html.
+! A1-U4 Watson-Crick (A-form RNA)
+assign (segid A and resid  1 and name N1 ) (segid B and resid  4 and name H3 
)  1.93 0.20 0.20
+assign (segid A and resid  1 and name N1 ) (segid B and resid  4 and name N3 
)  2.95 0.20 0.20
+assign (segid A and resid  1 and name N6 ) (segid B and resid  4 and name O4 
)  2.83 0.20 0.20
+assign (segid A and resid  1 and name H62) (segid B and resid  4 and name O4 
)  1.82 0.20 0.20  
+! U2-A3 Watson-Crick (A-form RNA)
+assign (segid A and resid  2 and name H3 ) (segid B and resid  3 and name N1 
)  1.93 0.20 0.20
+assign (segid A and resid  2 and name N3 ) (segid B and resid  3 and name N1 
)  2.95 0.20 0.20
+assign (segid A and resid  2 and name O4 ) (segid B and resid  3 and name N6 
)  2.83 0.20 0.20
+assign (segid A and resid  2 and name O4 ) (segid B and resid  3 and name 
H62)  1.82 0.20 0.20  
+! G3-C2 Watson-Crick (A-form RNA)
+assign (segid A and resid  3 and name H1 ) (segid B and resid  2 and name N3 
)  1.89 0.20 0.20
+assign (segid A and resid  3 and name N1 ) (segid B and resid  2 and name N3 
)  2.91 0.20 0.20
+assign (segid A and resid  3 and name H22) (segid B and resid  2 and name O2 
)  2.08 0.20 0.20
+assign (segid A and resid  3 and name N2 ) (segid B and resid  2 and name O2 
)  3.08 0.20 0.20
+assign (segid A and resid  3 and name O6 ) (segid B and resid  2 and name 
H42)  1.71 0.20 0.20
+assign (segid A and resid  3 and name O6 ) (segid B and resid  2 and name N4 
)  2.72 0.20 0.20
+! C4-G1 Watson-Crick (A-form RNA)
+assign (segid A and resid  4 and name N3 ) (segid B and resid  1 and name H1 
)  1.89 0.20 0.20
+assign (segid A and resid  4 and name N3 ) (segid B and resid  1 and name N1 
)  2.91 0.20 0.20
+assign (segid A and resid  4 and name O2 ) (segid B and resid  1 and name 
H22)  2.08 0.20 0.20
+assign (segid A and resid  4 and name O2 ) (segid B and resid  1 and name N2 
)  3.08 0.20 0.20
+assign (segid A and resid  4 and name H42) (segid B and resid  1 and name O6 
)  1.71 0.20 0.20
+assign (segid A and resid  4 and name N4 ) (segid B and resid  1 and name O6 
)  2.72 0.20 0.20