Welcome: an Introduction to this Site
NMRPipe: a Comprehensive Software System for Biomolecular NMR
Special Applications: NMR Drug Screening, Automation, and so on
Dipolar Couplings, Chemical Shifts, and Protein Structure
Miscellaneous

Frank's CV, Recent Slides, and Thesis

 

  

 

  Frank Delaglio, Ph.D.

   Software Science Consultant
  13840 Grey Colt Drive
  North Potomac MD 20878 USA

  Tel: 301 806-0867
  Fax: 301 309-8717
  E-mail: delaglio@nmrscience.com



NMRWish Built-In TCL Functions
dynGetNAAngles: Get angles from a Nucleic Acid structure.

Flag Argument Default Description
 -src ptrVal None Source of Structure Data.
 -res resList None Residue ID List.
 -chain cName * Chain Name.
 -seg sName * Seg Name.
Returns 12 Angles per Residue:
  alpha beta gamma delta epsilon zeta chi v0 v1 v2 v3 v4
Backbone and Glycosidic Torsions:
 1. alpha(i):     O3'(i-1) P(i)   O5'(i) C5'(i)
 2. beta(i):      P(i)     O5'(i) C5'(i) C4'(i)
 3. gamma(i):     O5'(i)   C5'(i) C4'(i) C3'(i)
 4. delta(i):     C5'(i)   C4'(i) C3'(i) O3'(i)
 5. epsilon(i):   C4'(i)   C3'(i) O3'(i) P(i+1)
 6. zeta(i):      C3'(i)   O3'(i) P(i+1) O5'(i+1)
 7. chi(i) A,G:   C4'(i)   C1'(i) N9(i)  C4(i)
 8. chi(i) C,U,T: C4'(i)   N1(i)  N9(i)  C2(i)
Sugar Torsion Angles:
 1. v0(i): C4'(i) O4'(i) C1'(i) C2'(i)
 2. v1(i): O4'(i) C1'(i) C2'(i) C3'(i)
 3. v2(i): C1'(i) C2'(i) C3'(i) C4'(i)
 4. v3(i): C2'(i) C3'(i) C4'(i) O4'(i)
 5. v4(i): C3'(i) C4'(i) O4'(i) C1'(i)

Under Construction

[ Home ] [ Terms of Use ] [ Copyright ]
last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com