Tutorials: Difference between revisions
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(New page: == Example calculations == === Basic structure calculation ===) |
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=== Basic structure calculation === | === 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 | |||
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