Tutorials: Difference between revisions
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read upl demo.upl # read upper distance bounds | read upl demo.upl # read upper distance bounds | ||
read aco demo.aco # read dihedral angle restraints | read aco demo.aco # read dihedral angle restraints | ||
calc_all 50 steps=4000 # calculate conformers | calc_all 50 steps=4000 # calculate conformers | ||
overview demo.ovw structures=10 pdb # analyze and write best conformers | overview demo.ovw structures=10 pdb # analyze and write best conformers | ||
Revision as of 12:51, 29 January 2009
Example calculations
Basic structure calculation
read upl demo.upl # read upper distance bounds read aco demo.aco # read dihedral angle restraints calc_all 50 steps=4000 # calculate conformers overview demo.ovw structures=10 pdb # analyze and write best conformers