Tutorials: Difference between revisions
Jump to navigation
Jump to search
(New page: == Example calculations == === Basic structure calculation ===) |
|||
| Line 2: | Line 2: | ||
=== 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 13:51, 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