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Tri-Adenylate mixed-flexibility demonstration

eagle-i ID

http://shared.eagle-i.net/i/0000013a-4ad4-0737-5291-c33f80000000

Resource Type

  1. Software

Properties

  1. Resource Description
    The adenylate_mobilities program was written by Chris Bruns to demonstrate molmodel's ability to select any bond in the molecule and set its bond mobility to Free, Torsion, or Rigid. Free means there are no constraints (similar to a conventional Molecular Mechanics analysis). Torsion means that the bond length and bond angles are fixed, but the dihedral angle about the bond is free to change. Rigid means that dihedral, angles, and bond length are all fixed. Some users may wish to set all bonds in a structural domain or subunit to Rigid.
  2. Contact
    Flores, Samuel
  3. Used by
    Uppsala University
  4. Operating System
    Any
  5. Developed by
    Bruns, Christopher
 
RDFRDF
 
Provenance Metadata About This Resource Record

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