Difference between revisions of "MSL Programs"

From MSL-Libraries
Jump to navigationJump to search
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
* [[MSL_Programs:getSelection|getSelection]]
 
* [[MSL_Programs:getSelection|getSelection]]
 
* [[MSL_Programs:getSurroundingResidues|getSurroundingResidues]]
 
* [[MSL_Programs:getSurroundingResidues|getSurroundingResidues]]
 +
* [[MSL_Programs:getDihedrals|getDihedrals]]  a program to get phi/psi and chi angles of a given structure. Can also give you probabilities and propensities for each angle.
 +
* [[MSL_Programs::repackSideChains|repackSideChains]] a program to repack sidechains
 +
* [[MSL_Programs::energyTable|energyTable]] a program to generate an energy table for repacking and/or designing sidechains
 +
* [[MSL_Programs::optimizeMC|optimizeMC]] a program to optimize an energy table (selects minimum energy side chains for repack/design runs)

Latest revision as of 18:39, 28 November 2011

  • getSelection
  • getSurroundingResidues
  • getDihedrals a program to get phi/psi and chi angles of a given structure. Can also give you probabilities and propensities for each angle.
  • repackSideChains a program to repack sidechains
  • energyTable a program to generate an energy table for repacking and/or designing sidechains
  • optimizeMC a program to optimize an energy table (selects minimum energy side chains for repack/design runs)