Hi Everyone, I have just started learning/using xplor and I am attempting to perform some simulated annealing, but to define a hinge at one end a helix to see what the potential movements are. At present I do not have any NMR restraints, but I would like know if this is possible both with or without NMR restraints. I have looked at the anneal.py script released with xplor, but I can't work out how to define a hinge at a specific place and then allow the simulation to just run.
Can anyone point me in the right direction and maybe give me the correct syntax for setting up and using a hinge? Many Thanks Simon Skinner -- Simon P Skinner Protein Chemistry Group Leiden Institute of Chemistry, Universiteit Leiden Phone: +31 71 527 6089 / Fax: +31 71 527 4349 E-mail : skinnersp at chem.leidenuniv.nl
